4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide

C16H13BrN6O — CID 19480531

IUPAC4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c1Br
InChIInChI=1S/C16H13BrN6O/c1-10-13(17)14(22(2)21-10)16(24)20-15-11(8-18)9-19-23(15)12-6-4-3-5-7-12/h3-7,9H,1-2H3,(H,20,24)
InChIKeyDBKZUPPWMDCOPT-UHFFFAOYSA-N
MW385.23 g/mol
LogP2.80
Rot. Bonds3

About 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19480531) has the molecular formula C16H13BrN6O and a molecular weight of 385.23 g/mol. Its IUPAC name is 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19480531
Molecular FormulaC16H13BrN6O
Molecular Weight385.23 g/mol
Exact Mass384.03
IUPAC Name4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c1Br
InChIInChI=1S/C16H13BrN6O/c1-10-13(17)14(22(2)21-10)16(24)20-15-11(8-18)9-19-23(15)12-6-4-3-5-7-12/h3-7,9H,1-2H3,(H,20,24)
InChIKeyDBKZUPPWMDCOPT-UHFFFAOYSA-N
XLogP2.80
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281708
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-cyano-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 19454931
methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19533516
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19535569
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19551877
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281419
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539533
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530055

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide (CID 19480531) is 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is DBKZUPPWMDCOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6O/c1-10-13(17)14(22(2)21-10)16(24)20-15-11(8-18)9-19-23(15)12-6-4-3-5-7-12/h3-7,9H,1-2H3,(H,20,24).
What are the key properties of 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 385.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19480531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).