[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid

C19H17N5O4 — CID 69052738

IUPAC[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2NC(=O)O)cc1
InChIInChI=1S/C19H17N5O4/c1-12(25)20-14-9-7-13(8-10-14)18(26)22-17-16(21-19(27)28)11-24(23-17)15-5-3-2-4-6-15/h2-11,21H,1H3,(H,20,25)(H,27,28)(H,22,23,26)
InChIKeyWZHJUVXAOWDLKV-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.17
Rot. Bonds5

About [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid

[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid (PubChem CID 69052738) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
PubChem CID69052738
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2NC(=O)O)cc1
InChIInChI=1S/C19H17N5O4/c1-12(25)20-14-9-7-13(8-10-14)18(26)22-17-16(21-19(27)28)11-24(23-17)15-5-3-2-4-6-15/h2-11,21H,1H3,(H,20,25)(H,27,28)(H,22,23,26)
InChIKeyWZHJUVXAOWDLKV-UHFFFAOYSA-N
XLogP3.17
TPSA125.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-3-[(6-chloropyridine-3-carbonyl)amino]pyrazol-4-yl]carbamic acid
CID 87270427
4-acetamido-N-(4-amino-5-fluoro-1-phenylpyrazol-3-yl)benzamide
CID 16739136
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
4-acetamido-3-chloro-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 146096937
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
tert-butyl-[3-[[4-(1,3-dianilino-1,3-dioxopropan-2-yl)benzoyl]amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 67279473
N-(4-acetylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2984874
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
4-acetamido-N-(3-acetamido-2-methylphenyl)benzamide
CID 134019280
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
CID 25012332

Frequently Asked Questions

What is the IUPAC name of [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid?
The IUPAC name of [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid (CID 69052738) is [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid.
What is the SMILES notation for [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid?
The canonical SMILES for [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid is CC(=O)Nc1ccc(C(=O)Nc2nn(-c3ccccc3)cc2NC(=O)O)cc1.
What is the InChIKey of [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid?
The InChIKey is WZHJUVXAOWDLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-12(25)20-14-9-7-13(8-10-14)18(26)22-17-16(21-19(27)28)11-24(23-17)15-5-3-2-4-6-15/h2-11,21H,1H3,(H,20,25)(H,27,28)(H,22,23,26).
What are the key properties of [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid?
[3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid has a molecular weight of 379.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-acetamidobenzoyl)amino]-1-phenylpyrazol-4-yl]carbamic acid is sourced from PubChem (CID 69052738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).