1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid

C17H12ClN3O3 — CID 75417973

IUPAC1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1
InChIInChI=1S/C17H12ClN3O3/c18-14-7-2-1-6-13(14)16(22)19-11-4-3-5-12(10-11)21-9-8-15(20-21)17(23)24/h1-10H,(H,19,22)(H,23,24)
InChIKeyVPVDQJBDXBBCJK-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid

1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 75417973) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
PubChem CID75417973
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1
InChIInChI=1S/C17H12ClN3O3/c18-14-7-2-1-6-13(14)16(22)19-11-4-3-5-12(10-11)21-9-8-15(20-21)17(23)24/h1-10H,(H,19,22)(H,23,24)
InChIKeyVPVDQJBDXBBCJK-UHFFFAOYSA-N
XLogP3.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid (CID 75417973) is 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1.
What is the InChIKey of 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is VPVDQJBDXBBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-14-7-2-1-6-13(14)16(22)19-11-4-3-5-12(10-11)21-9-8-15(20-21)17(23)24/h1-10H,(H,19,22)(H,23,24).
What are the key properties of 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid?
1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 341.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 75417973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).