N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C18H14N4O — CID 71684163

IUPACN-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nn1-c1ccccc1
InChIInChI=1S/C18H14N4O/c1-13-11-17(21-22(13)15-8-3-2-4-9-15)18(23)20-16-10-6-5-7-14(16)12-19/h2-11H,1H3,(H,20,23)
InChIKeyHTYCFGGFCQPCHR-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.30
Rot. Bonds3

About N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 71684163) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID71684163
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nn1-c1ccccc1
InChIInChI=1S/C18H14N4O/c1-13-11-17(21-22(13)15-8-3-2-4-9-15)18(23)20-16-10-6-5-7-14(16)12-19/h2-11H,1H3,(H,20,23)
InChIKeyHTYCFGGFCQPCHR-UHFFFAOYSA-N
XLogP3.30
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
5-chloro-N-(2-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3134520
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
N-(2-cyanophenyl)-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449184

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 71684163) is N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C#N)nn1-c1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is HTYCFGGFCQPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-13-11-17(21-22(13)15-8-3-2-4-9-15)18(23)20-16-10-6-5-7-14(16)12-19/h2-11H,1H3,(H,20,23).
What are the key properties of N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71684163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).