1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide

C21H22FN3O — CID 78874296

IUPAC1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(F)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H22FN3O/c1-2-20-19(14-24-25(20)15-17-6-4-3-5-7-17)21(26)23-13-12-16-8-10-18(22)11-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,23,26)
InChIKeyRODXJKOGECCBMZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.61
Rot. Bonds7

About 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 78874296) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
PubChem CID78874296
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(F)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H22FN3O/c1-2-20-19(14-24-25(20)15-17-6-4-3-5-7-17)21(26)23-13-12-16-8-10-18(22)11-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,23,26)
InChIKeyRODXJKOGECCBMZ-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide (CID 78874296) is 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCCc2ccc(F)cc2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is RODXJKOGECCBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-2-20-19(14-24-25(20)15-17-6-4-3-5-7-17)21(26)23-13-12-16-8-10-18(22)11-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78874296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).