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

C18H15N3O4 — CID 57342210

IUPAC4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)[nH]n2)cc1
InChIInChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22)
InChIKeyAGHCCSPLRUNTDV-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.04
Rot. Bonds5

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

4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid (PubChem CID 57342210) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid
PubChem CID57342210
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)[nH]n2)cc1
InChIInChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22)
InChIKeyAGHCCSPLRUNTDV-UHFFFAOYSA-N
XLogP3.04
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid (CID 57342210) is 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid is COc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid?
The InChIKey is AGHCCSPLRUNTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-14-8-6-12(7-9-14)17(22)19-16-10-15(20-21-16)11-2-4-13(5-3-11)18(23)24/h2-10H,1H3,(H,23,24)(H2,19,20,21,22).
What are the key properties of 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid?
4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid has a molecular weight of 337.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxybenzoyl)amino]-1H-pyrazol-5-yl]benzoic acid is sourced from PubChem (CID 57342210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).