1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide

C20H18N4O2 — CID 2473238

IUPAC1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-17-10-8-16(9-11-17)22-20(25)18-14-24(13-5-12-21)23-19(18)15-6-3-2-4-7-15/h2-4,6-11,14H,5,13H2,1H3,(H,22,25)
InChIKeyJPYCHVFFIGHBMC-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.72
Rot. Bonds6

About 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide

1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 2473238) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID2473238
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O2/c1-26-17-10-8-16(9-11-17)22-20(25)18-14-24(13-5-12-21)23-19(18)15-6-3-2-4-7-15/h2-4,6-11,14H,5,13H2,1H3,(H,22,25)
InChIKeyJPYCHVFFIGHBMC-UHFFFAOYSA-N
XLogP3.72
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
N'-(2-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carbohydrazide
CID 2812503
N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
1-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}-4-(4-methoxyphenyl)piperazine
CID 1314825

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide (CID 2473238) is 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is JPYCHVFFIGHBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-26-17-10-8-16(9-11-17)22-20(25)18-14-24(13-5-12-21)23-19(18)15-6-3-2-4-7-15/h2-4,6-11,14H,5,13H2,1H3,(H,22,25).
What are the key properties of 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide?
1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2473238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).