N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

C21H20N4O — CID 60615240

IUPACN-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(c2cccc(C#N)c2)C(C)C)cnn1-c1ccccc1
InChIInChI=1S/C21H20N4O/c1-15(2)24(19-11-7-8-17(12-19)13-22)21(26)20-14-23-25(16(20)3)18-9-5-4-6-10-18/h4-12,14-15H,1-3H3
InChIKeyNPTSOIBZQLFPDX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.11
Rot. Bonds4

About N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 60615240) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID60615240
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(c2cccc(C#N)c2)C(C)C)cnn1-c1ccccc1
InChIInChI=1S/C21H20N4O/c1-15(2)24(19-11-7-8-17(12-19)13-22)21(26)20-14-23-25(16(20)3)18-9-5-4-6-10-18/h4-12,14-15H,1-3H3
InChIKeyNPTSOIBZQLFPDX-UHFFFAOYSA-N
XLogP4.11
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 115330802
N-(3-cyanophenyl)-2-(3-phenylpropylsulfonyl)-N-propan-2-ylacetamide
CID 60615525
3-(4-amino-5-methylpyrazol-1-yl)benzonitrile
CID 60867380
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119209354
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
CID 163629755
N'-[2-(4-cyanophenoxy)acetyl]-5-methyl-1-phenylpyrazole-4-carbohydrazide
CID 25395657
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55513631

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (CID 60615240) is N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(c2cccc(C#N)c2)C(C)C)cnn1-c1ccccc1.
What is the InChIKey of N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NPTSOIBZQLFPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15(2)24(19-11-7-8-17(12-19)13-22)21(26)20-14-23-25(16(20)3)18-9-5-4-6-10-18/h4-12,14-15H,1-3H3.
What are the key properties of N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60615240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).