3-(1H-pyrazol-4-ylamino)benzoic acid

C10H9N3O2 — CID 115022807

IUPAC3-(1H-pyrazol-4-ylamino)benzoic acid
SMILESO=C(O)c1cccc(Nc2cn[nH]c2)c1
InChIInChI=1S/C10H9N3O2/c14-10(15)7-2-1-3-8(4-7)13-9-5-11-12-6-9/h1-6,13H,(H,11,12)(H,14,15)
InChIKeyVGCWGRDOJBOGFJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.85
Rot. Bonds3

About 3-(1H-pyrazol-4-ylamino)benzoic acid

3-(1H-pyrazol-4-ylamino)benzoic acid (PubChem CID 115022807) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylamino)benzoic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylamino)benzoic acid
PubChem CID115022807
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-(1H-pyrazol-4-ylamino)benzoic acid
SMILESO=C(O)c1cccc(Nc2cn[nH]c2)c1
InChIInChI=1S/C10H9N3O2/c14-10(15)7-2-1-3-8(4-7)13-9-5-11-12-6-9/h1-6,13H,(H,11,12)(H,14,15)
InChIKeyVGCWGRDOJBOGFJ-UHFFFAOYSA-N
XLogP1.85
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
CID 43517510
3-(4-acetylanilino)benzoic acid
CID 11184397
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
3-[(6-cyano-3-pyridinyl)amino]benzoic acid
CID 113320464
3-[(2-oxo-1H-pyrazin-3-yl)amino]benzoic acid
CID 114570420
3-(2,3,4,5,6-pentafluoroanilino)benzoic acid
CID 43238245
3-(2,6-dichloroanilino)benzoic acid
CID 56930861
3-[(6-oxo-1H-pyridazin-3-yl)amino]benzoic acid
CID 71521390
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
CID 146541131
3-[(1-methyltetrazol-5-yl)amino]benzoic acid
CID 63151983

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylamino)benzoic acid?
The IUPAC name of 3-(1H-pyrazol-4-ylamino)benzoic acid (CID 115022807) is 3-(1H-pyrazol-4-ylamino)benzoic acid.
What is the SMILES notation for 3-(1H-pyrazol-4-ylamino)benzoic acid?
The canonical SMILES for 3-(1H-pyrazol-4-ylamino)benzoic acid is O=C(O)c1cccc(Nc2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-ylamino)benzoic acid?
The InChIKey is VGCWGRDOJBOGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)7-2-1-3-8(4-7)13-9-5-11-12-6-9/h1-6,13H,(H,11,12)(H,14,15).
What are the key properties of 3-(1H-pyrazol-4-ylamino)benzoic acid?
3-(1H-pyrazol-4-ylamino)benzoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylamino)benzoic acid is sourced from PubChem (CID 115022807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).