4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide

C14H16FN3O — CID 35327495

IUPAC4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
SMILESCC(C)Cn1nccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-10(2)9-18-13(7-8-16-18)17-14(19)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyDALKUTJFICNWSL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.93
Rot. Bonds4

About 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide

4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide (PubChem CID 35327495) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
PubChem CID35327495
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
SMILESCC(C)Cn1nccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-10(2)9-18-13(7-8-16-18)17-14(19)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyDALKUTJFICNWSL-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35441791
1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 35324181
3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
CID 134014331
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 35447404
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide (CID 35327495) is 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide is CC(C)Cn1nccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
The InChIKey is DALKUTJFICNWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10(2)9-18-13(7-8-16-18)17-14(19)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide?
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide has a molecular weight of 261.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 35327495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).