2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid

C17H13N3O3 — CID 2814386

IUPAC2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C17H13N3O3/c21-16(12-8-4-5-9-13(12)17(22)23)18-15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,20,21)
InChIKeyVOGAXCJOOQXEOM-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid

2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid (PubChem CID 2814386) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
PubChem CID2814386
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C17H13N3O3/c21-16(12-8-4-5-9-13(12)17(22)23)18-15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,20,21)
InChIKeyVOGAXCJOOQXEOM-UHFFFAOYSA-N
XLogP3.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid (CID 2814386) is 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The InChIKey is VOGAXCJOOQXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16(12-8-4-5-9-13(12)17(22)23)18-15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,20,21).
What are the key properties of 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 2814386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).