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

C11H10FN3O2 — CID 103829705

IUPAC4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1ccc(F)cc1O
InChIInChI=1S/C11H10FN3O2/c12-8-1-2-9(10(16)3-8)11(17)13-4-7-5-14-15-6-7/h1-3,5-6,16H,4H2,(H,13,17)(H,14,15)
InChIKeyIHOGCUDFDFXXOB-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.18
Rot. Bonds3

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

4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 103829705) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID103829705
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1ccc(F)cc1O
InChIInChI=1S/C11H10FN3O2/c12-8-1-2-9(10(16)3-8)11(17)13-4-7-5-14-15-6-7/h1-3,5-6,16H,4H2,(H,13,17)(H,14,15)
InChIKeyIHOGCUDFDFXXOB-UHFFFAOYSA-N
XLogP1.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61053649
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
3-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]benzoic acid
CID 107013440
2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60999454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 103829705) is 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is IHOGCUDFDFXXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-1-2-9(10(16)3-8)11(17)13-4-7-5-14-15-6-7/h1-3,5-6,16H,4H2,(H,13,17)(H,14,15).
What are the key properties of 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide?
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 235.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 103829705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).