4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid

C14H13N3O3 — CID 5330976

IUPAC4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)
InChIKeyXOKMDOXIMWIBTG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.24
Rot. Bonds4

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid

4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid (PubChem CID 5330976) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
PubChem CID5330976
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)
InChIKeyXOKMDOXIMWIBTG-UHFFFAOYSA-N
XLogP2.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid (CID 5330976) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
The InChIKey is XOKMDOXIMWIBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18).
What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid?
4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 5330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).