2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H12FN3O — CID 62511186

IUPAC2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C12H12FN3O/c1-8-2-3-11(13)10(4-8)12(17)14-5-9-6-15-16-7-9/h2-4,6-7H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyTVHVKKROROHNCZ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.79
Rot. Bonds3

About 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 62511186) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID62511186
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C12H12FN3O/c1-8-2-3-11(13)10(4-8)12(17)14-5-9-6-15-16-7-9/h2-4,6-7H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyTVHVKKROROHNCZ-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61053649
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 62511186) is 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is Cc1ccc(F)c(C(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is TVHVKKROROHNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-2-3-11(13)10(4-8)12(17)14-5-9-6-15-16-7-9/h2-4,6-7H,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 233.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 62511186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).