1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide

C20H17FN4O2 — CID 2529471

IUPAC1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2/c1-27-18-6-3-2-5-17(18)23-20(26)16-13-25(12-4-11-22)24-19(16)14-7-9-15(21)10-8-14/h2-3,5-10,13H,4,12H2,1H3,(H,23,26)
InChIKeyPBKMIUYACIOWNO-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.86
Rot. Bonds6

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

1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 2529471) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID2529471
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2/c1-27-18-6-3-2-5-17(18)23-20(26)16-13-25(12-4-11-22)24-19(16)14-7-9-15(21)10-8-14/h2-3,5-10,13H,4,12H2,1H3,(H,23,26)
InChIKeyPBKMIUYACIOWNO-UHFFFAOYSA-N
XLogP3.86
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
N'-(2-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carbohydrazide
CID 2812503
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67608489
3-ethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67615692
US10364238, Example 64
CID 121365036

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 2529471) is 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is PBKMIUYACIOWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-27-18-6-3-2-5-17(18)23-20(26)16-13-25(12-4-11-22)24-19(16)14-7-9-15(21)10-8-14/h2-3,5-10,13H,4,12H2,1H3,(H,23,26).
What are the key properties of 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide?
1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-(4-fluorophenyl)-N-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2529471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).