4-(3-amino-1H-pyrazol-5-yl)benzoic acid

C10H9N3O2 — CID 22241670

IUPAC4-(3-amino-1H-pyrazol-5-yl)benzoic acid
SMILESNc1cc(-c2ccc(C(=O)O)cc2)[nH]n1
InChIInChI=1S/C10H9N3O2/c11-9-5-8(12-13-9)6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H3,11,12,13)
InChIKeyXPRNXMCOWJJSDJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.36
Rot. Bonds2

About 4-(3-amino-1H-pyrazol-5-yl)benzoic acid

4-(3-amino-1H-pyrazol-5-yl)benzoic acid (PubChem CID 22241670) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(3-amino-1H-pyrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-amino-1H-pyrazol-5-yl)benzoic acid
PubChem CID22241670
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(3-amino-1H-pyrazol-5-yl)benzoic acid
SMILESNc1cc(-c2ccc(C(=O)O)cc2)[nH]n1
InChIInChI=1S/C10H9N3O2/c11-9-5-8(12-13-9)6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H3,11,12,13)
InChIKeyXPRNXMCOWJJSDJ-UHFFFAOYSA-N
XLogP1.36
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)benzoic acid?
The IUPAC name of 4-(3-amino-1H-pyrazol-5-yl)benzoic acid (CID 22241670) is 4-(3-amino-1H-pyrazol-5-yl)benzoic acid.
What is the SMILES notation for 4-(3-amino-1H-pyrazol-5-yl)benzoic acid?
The canonical SMILES for 4-(3-amino-1H-pyrazol-5-yl)benzoic acid is Nc1cc(-c2ccc(C(=O)O)cc2)[nH]n1.
What is the InChIKey of 4-(3-amino-1H-pyrazol-5-yl)benzoic acid?
The InChIKey is XPRNXMCOWJJSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-9-5-8(12-13-9)6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H3,11,12,13).
What are the key properties of 4-(3-amino-1H-pyrazol-5-yl)benzoic acid?
4-(3-amino-1H-pyrazol-5-yl)benzoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-pyrazol-5-yl)benzoic acid is sourced from PubChem (CID 22241670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).