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

C12H10BrN5O — CID 107796934

IUPAC4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cc(Br)ccc2C#N)c1N
InChIInChI=1S/C12H10BrN5O/c1-6-10(15)11(18-17-6)12(19)16-9-4-8(13)3-2-7(9)5-14/h2-4H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyAXGHAUXMQSOEFL-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.19
Rot. Bonds2

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

4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 107796934) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID107796934
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cc(Br)ccc2C#N)c1N
InChIInChI=1S/C12H10BrN5O/c1-6-10(15)11(18-17-6)12(19)16-9-4-8(13)3-2-7(9)5-14/h2-4H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyAXGHAUXMQSOEFL-UHFFFAOYSA-N
XLogP2.19
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 82702489
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-amino-N-(5-bromo-2-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107798285
4-amino-N-(4-bromo-2,5-difluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 107608683
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62081034
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 104880459

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 107796934) is 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cc(Br)ccc2C#N)c1N.
What is the InChIKey of 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is AXGHAUXMQSOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-6-10(15)11(18-17-6)12(19)16-9-4-8(13)3-2-7(9)5-14/h2-4H,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-cyanophenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107796934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).