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

C16H14N6O — CID 19474111

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cnn1C
InChIInChI=1S/C16H14N6O/c1-11-14(10-18-21(11)2)16(23)20-15-12(8-17)9-19-22(15)13-6-4-3-5-7-13/h3-7,9-10H,1-2H3,(H,20,23)
InChIKeyFSCWORARQVVKPK-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.04
Rot. Bonds3

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

N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 19474111) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID19474111
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cnn1C
InChIInChI=1S/C16H14N6O/c1-11-14(10-18-21(11)2)16(23)20-15-12(8-17)9-19-22(15)13-6-4-3-5-7-13/h3-7,9-10H,1-2H3,(H,20,23)
InChIKeyFSCWORARQVVKPK-UHFFFAOYSA-N
XLogP2.04
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.04
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
methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
4-bromo-N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480531
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)-1,3-diphenylpyrazole-4-carboxamide
CID 19281419
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19535569
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 113220547
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530055
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide (CID 19474111) is N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2c(C#N)cnn2-c2ccccc2)cnn1C.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is FSCWORARQVVKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-11-14(10-18-21(11)2)16(23)20-15-12(8-17)9-19-22(15)13-6-4-3-5-7-13/h3-7,9-10H,1-2H3,(H,20,23).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).