4-(1H-pyrazol-4-yl)benzoic acid

C10H8N2O2 — CID 23005001

IUPAC4-(1H-pyrazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChIKeyZGICHEMKLPXWPZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.77
Rot. Bonds2

About 4-(1H-pyrazol-4-yl)benzoic acid

4-(1H-pyrazol-4-yl)benzoic acid (PubChem CID 23005001) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)benzoic acid
PubChem CID23005001
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-(1H-pyrazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChIKeyZGICHEMKLPXWPZ-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)benzoic acid?
The IUPAC name of 4-(1H-pyrazol-4-yl)benzoic acid (CID 23005001) is 4-(1H-pyrazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)benzoic acid?
The canonical SMILES for 4-(1H-pyrazol-4-yl)benzoic acid is O=C(O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)benzoic acid?
The InChIKey is ZGICHEMKLPXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 4-(1H-pyrazol-4-yl)benzoic acid?
4-(1H-pyrazol-4-yl)benzoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)benzoic acid is sourced from PubChem (CID 23005001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).