5-benzamido-1-phenylpyrazole-4-carboxylic acid

C17H13N3O3 — CID 16638016

IUPAC5-benzamido-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)cnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13N3O3/c21-16(12-7-3-1-4-8-12)19-15-14(17(22)23)11-18-20(15)13-9-5-2-6-10-13/h1-11H,(H,19,21)(H,22,23)
InChIKeyPVMXYHRTTUFSED-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.82
Rot. Bonds4

About 5-benzamido-1-phenylpyrazole-4-carboxylic acid

5-benzamido-1-phenylpyrazole-4-carboxylic acid (PubChem CID 16638016) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-benzamido-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-benzamido-1-phenylpyrazole-4-carboxylic acid
PubChem CID16638016
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name5-benzamido-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)cnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13N3O3/c21-16(12-7-3-1-4-8-12)19-15-14(17(22)23)11-18-20(15)13-9-5-2-6-10-13/h1-11H,(H,19,21)(H,22,23)
InChIKeyPVMXYHRTTUFSED-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 143258587
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
CID 24828386
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-benzamido-1-phenylpyrazole-4-carboxylic acid (CID 16638016) is 5-benzamido-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-benzamido-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-benzamido-1-phenylpyrazole-4-carboxylic acid is O=C(Nc1c(C(=O)O)cnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzamido-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is PVMXYHRTTUFSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16(12-7-3-1-4-8-12)19-15-14(17(22)23)11-18-20(15)13-9-5-2-6-10-13/h1-11H,(H,19,21)(H,22,23).
What are the key properties of 5-benzamido-1-phenylpyrazole-4-carboxylic acid?
5-benzamido-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 16638016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).