4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid

C12H10FN3O3 — CID 79139491

IUPAC4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccn[nH]1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H10FN3O3/c13-7-1-2-9(12(18)19)10(5-7)15-11(17)6-8-3-4-14-16-8/h1-5H,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyQQDMXWZECUIBIE-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.43
Rot. Bonds4

About 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid

4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid (PubChem CID 79139491) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
PubChem CID79139491
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccn[nH]1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H10FN3O3/c13-7-1-2-9(12(18)19)10(5-7)15-11(17)6-8-3-4-14-16-8/h1-5H,6H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyQQDMXWZECUIBIE-UHFFFAOYSA-N
XLogP1.43
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79140170
2-methyl-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139697
4-fluoro-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 28934222
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
2-chloro-5-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79139290
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
4-amino-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 63116313
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
3,5-dichloro-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 82830477
4-fluoro-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 43358600
N-(5-ethyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 115663310

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid (CID 79139491) is 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid is O=C(Cc1ccn[nH]1)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
The InChIKey is QQDMXWZECUIBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-7-1-2-9(12(18)19)10(5-7)15-11(17)6-8-3-4-14-16-8/h1-5H,6H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid?
4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid has a molecular weight of 263.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 79139491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).