2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C14H16FN3O — CID 79777050

IUPAC2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C(C)C)c(F)c1
InChIInChI=1S/C14H16FN3O/c1-9(2)18-13(6-7-16-18)17-14(19)11-5-4-10(3)8-12(11)15/h4-9H,1-3H3,(H,17,19)
InChIKeyMBGXBLYYXFLKAM-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.16
Rot. Bonds3

About 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 79777050) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID79777050
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C(C)C)c(F)c1
InChIInChI=1S/C14H16FN3O/c1-9(2)18-13(6-7-16-18)17-14(19)11-5-4-10(3)8-12(11)15/h4-9H,1-3H3,(H,17,19)
InChIKeyMBGXBLYYXFLKAM-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112702320
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 103606134
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
2-fluoro-5-nitro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 43377509
3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 105384065
2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 30183644
5-amino-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917197
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 107073845
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 78772248

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 79777050) is 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccnn2C(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is MBGXBLYYXFLKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(2)18-13(6-7-16-18)17-14(19)11-5-4-10(3)8-12(11)15/h4-9H,1-3H3,(H,17,19).
What are the key properties of 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 79777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).