2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate

C17H19N3O4 — CID 7708005

IUPAC2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate
SMILESCC(=O)c1ccc(NC(=O)c2ccn(C(=O)OCC(C)C)n2)cc1
InChIInChI=1S/C17H19N3O4/c1-11(2)10-24-17(23)20-9-8-15(19-20)16(22)18-14-6-4-13(5-7-14)12(3)21/h4-9,11H,10H2,1-3H3,(H,18,22)
InChIKeyCWTZVDGSHYUWQU-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.98
Rot. Bonds5

About 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate

2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate (PubChem CID 7708005) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate
PubChem CID7708005
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate
SMILESCC(=O)c1ccc(NC(=O)c2ccn(C(=O)OCC(C)C)n2)cc1
InChIInChI=1S/C17H19N3O4/c1-11(2)10-24-17(23)20-9-8-15(19-20)16(22)18-14-6-4-13(5-7-14)12(3)21/h4-9,11H,10H2,1-3H3,(H,18,22)
InChIKeyCWTZVDGSHYUWQU-UHFFFAOYSA-N
XLogP2.98
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate (CID 7708005) is 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate is CC(=O)c1ccc(NC(=O)c2ccn(C(=O)OCC(C)C)n2)cc1.
What is the InChIKey of 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate?
The InChIKey is CWTZVDGSHYUWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(2)10-24-17(23)20-9-8-15(19-20)16(22)18-14-6-4-13(5-7-14)12(3)21/h4-9,11H,10H2,1-3H3,(H,18,22).
What are the key properties of 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate?
2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[(4-acetylphenyl)carbamoyl]pyrazole-1-carboxylate is sourced from PubChem (CID 7708005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).