N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide

C19H16N4O — CID 171673309

IUPACN-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide
SMILESCC(C#N)NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-14(12-20)22-19(24)17-13-21-23(16-10-6-3-7-11-16)18(17)15-8-4-2-5-9-15/h2-11,13-14H,1H3,(H,22,24)
InChIKeyDCABBCFXRCDTDC-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.18
Rot. Bonds4

About N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide

N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide (PubChem CID 171673309) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide
PubChem CID171673309
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide
SMILESCC(C#N)NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-14(12-20)22-19(24)17-13-21-23(16-10-6-3-7-11-16)18(17)15-8-4-2-5-9-15/h2-11,13-14H,1H3,(H,22,24)
InChIKeyDCABBCFXRCDTDC-UHFFFAOYSA-N
XLogP3.18
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818142
1-(5-fluoro-1-phenylpyrazol-4-yl)-2-methylbutan-1-one
CID 114244058
N-(1-cyanoethyl)-2,3-dimethylbenzamide
CID 61121435
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide (CID 171673309) is N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide is CC(C#N)NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide?
The InChIKey is DCABBCFXRCDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14(12-20)22-19(24)17-13-21-23(16-10-6-3-7-11-16)18(17)15-8-4-2-5-9-15/h2-11,13-14H,1H3,(H,22,24).
What are the key properties of N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide?
N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 171673309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).