AB73899
908584-68-9 | Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB73899
ChemicalName
Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber
908584-68-9
MolecularFormula
C13H11ClN4O2
MolecularWeight
290.705
MdlNumber
MFCD09835737
Smiles
CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)Cl
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AB73899
ChemicalName: Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber: 908584-68-9
MolecularFormula: C13H11ClN4O2
MolecularWeight: 290.705
MdlNumber: MFCD09835737
Smiles: CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)Cl
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AB73899
ChemicalName:
Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CasNumber:
908584-68-9
MolecularFormula:
C13H11ClN4O2
MolecularWeight:
290.705
MdlNumber:
MFCD09835737
Smiles:
CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)Cl
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: AB73900
ChemicalName: Ethyl 3-amino-1H-pyrazole-5-carboxylate
CasNumber: 105434-90-0
MolecularFormula: C6H9N3O2
MolecularWeight: 155.1546
MdlNumber: MFCD03468385
Smiles: CCOC(=O)c1cc([nH]n1)N
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AB73900
ChemicalName:
Ethyl 3-amino-1H-pyrazole-5-carboxylate
CasNumber:
105434-90-0
MolecularFormula:
C6H9N3O2
MolecularWeight:
155.1546
MdlNumber:
MFCD03468385
Smiles:
CCOC(=O)c1cc([nH]n1)N
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: AB73901
ChemicalName: Ethyl 5-amino-2-methylthiazole-4-carboxylate
CasNumber: 31785-05-4
MolecularFormula: C7H10N2O2S
MolecularWeight: 186.2315
MdlNumber: MFCD07357418
Smiles: CCOC(=O)c1nc(sc1N)C
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB73901
ChemicalName:
Ethyl 5-amino-2-methylthiazole-4-carboxylate
CasNumber:
31785-05-4
MolecularFormula:
C7H10N2O2S
MolecularWeight:
186.2315
MdlNumber:
MFCD07357418
Smiles:
CCOC(=O)c1nc(sc1N)C
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB73902
ChemicalName: Ethyl 5-aminopyrazine-2-carboxylate
CasNumber: 54013-06-8
MolecularFormula: C7H9N3O2
MolecularWeight: 167.1653
MdlNumber: MFCD08437665
Smiles: CCOC(=O)c1cnc(cn1)N
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AB73902
ChemicalName:
Ethyl 5-aminopyrazine-2-carboxylate
CasNumber:
54013-06-8
MolecularFormula:
C7H9N3O2
MolecularWeight:
167.1653
MdlNumber:
MFCD08437665
Smiles:
CCOC(=O)c1cnc(cn1)N
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1