4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide

C13H12BrN5O — CID 82702489

IUPAC4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc(Br)cc2C#N)c1N
InChIInChI=1S/C13H12BrN5O/c1-2-9-11(16)12(19-18-9)13(20)17-10-4-3-8(14)5-7(10)6-15/h3-5H,2,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGMFTWSMCGPOQCZ-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.44
Rot. Bonds3

About 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 82702489) has the molecular formula C13H12BrN5O and a molecular weight of 334.18 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID82702489
Molecular FormulaC13H12BrN5O
Molecular Weight334.18 g/mol
Exact Mass333.02
IUPAC Name4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc(Br)cc2C#N)c1N
InChIInChI=1S/C13H12BrN5O/c1-2-9-11(16)12(19-18-9)13(20)17-10-4-3-8(14)5-7(10)6-15/h3-5H,2,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyGMFTWSMCGPOQCZ-UHFFFAOYSA-N
XLogP2.44
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107796934
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
4-amino-5-ethyl-N-(3-methyl-4-pyridinyl)-1H-pyrazole-3-carboxamide
CID 63669329
(4-bromo-2-cyanophenyl)urea
CID 82708837
4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 79048461
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 82012764
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
5-amino-N-(4-bromo-2-cyanophenyl)pyrazine-2-carboxamide
CID 107376526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 82702489) is 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccc(Br)cc2C#N)c1N.
What is the InChIKey of 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is GMFTWSMCGPOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O/c1-2-9-11(16)12(19-18-9)13(20)17-10-4-3-8(14)5-7(10)6-15/h3-5H,2,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 334.18 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 82702489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).