2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid

C11H8FN3O3 — CID 54920900

IUPAC2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(F)c(C(=O)O)c1)c1ccn[nH]1
InChIInChI=1S/C11H8FN3O3/c12-8-2-1-6(5-7(8)11(17)18)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)(H,17,18)
InChIKeySIUUHRWCJVYLQG-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid

2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid (PubChem CID 54920900) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
PubChem CID54920900
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(F)c(C(=O)O)c1)c1ccn[nH]1
InChIInChI=1S/C11H8FN3O3/c12-8-2-1-6(5-7(8)11(17)18)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)(H,17,18)
InChIKeySIUUHRWCJVYLQG-UHFFFAOYSA-N
XLogP1.50
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylsulfinylphenyl)-1H-pyrazole-5-carboxamide
CID 75394550
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
5-iodo-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63111258
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 65435106
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxamide
CID 47177474
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
4-amino-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63116138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid (CID 54920900) is 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid is O=C(Nc1ccc(F)c(C(=O)O)c1)c1ccn[nH]1.
What is the InChIKey of 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid?
The InChIKey is SIUUHRWCJVYLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-8-2-1-6(5-7(8)11(17)18)14-10(16)9-3-4-13-15-9/h1-5H,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid?
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid has a molecular weight of 249.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 54920900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).