5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide

C20H19FN4O2 — CID 166233654

IUPAC5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(=O)Nc2ccc(F)cc2)c1Cc1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-25-18(11-14-5-3-2-4-6-14)17(12-23-25)20(27)22-13-19(26)24-16-9-7-15(21)8-10-16/h2-10,12H,11,13H2,1H3,(H,22,27)(H,24,26)
InChIKeyUJXPHAIZUJCMAP-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.52
Rot. Bonds6

About 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide

5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 166233654) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
PubChem CID166233654
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(=O)Nc2ccc(F)cc2)c1Cc1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-25-18(11-14-5-3-2-4-6-14)17(12-23-25)20(27)22-13-19(26)24-16-9-7-15(21)8-10-16/h2-10,12H,11,13H2,1H3,(H,22,27)(H,24,26)
InChIKeyUJXPHAIZUJCMAP-UHFFFAOYSA-N
XLogP2.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-benzyl-1-methylpyrazole-4-carboxamide
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CID 166233967
5-benzyl-1-methyl-N-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 166341062
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495
5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
CID 167854994
5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 167870588
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
5-ethyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55835373
2-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110953235
5-benzyl-1-methyl-N-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 170040077
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 167899031

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide (CID 166233654) is 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCC(=O)Nc2ccc(F)cc2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UJXPHAIZUJCMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25-18(11-14-5-3-2-4-6-14)17(12-23-25)20(27)22-13-19(26)24-16-9-7-15(21)8-10-16/h2-10,12H,11,13H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166233654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).