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

C12H12FN3O2 — CID 107676711

IUPAC2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCN(Cc1cn[nH]c1)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H12FN3O2/c1-16(7-8-5-14-15-6-8)12(18)10-3-2-9(17)4-11(10)13/h2-6,17H,7H2,1H3,(H,14,15)
InChIKeyUQPWAZDALKCKHY-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.53
Rot. Bonds3

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

2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 107676711) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID107676711
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCN(Cc1cn[nH]c1)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H12FN3O2/c1-16(7-8-5-14-15-6-8)12(18)10-3-2-9(17)4-11(10)13/h2-6,17H,7H2,1H3,(H,14,15)
InChIKeyUQPWAZDALKCKHY-UHFFFAOYSA-N
XLogP1.53
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
CID 154841203
2-fluoro-N,3-dimethyl-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103297391
2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 77016051
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928275
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 81455475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 107676711) is 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is CN(Cc1cn[nH]c1)C(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is UQPWAZDALKCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-16(7-8-5-14-15-6-8)12(18)10-3-2-9(17)4-11(10)13/h2-6,17H,7H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 107676711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).