2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide

C21H24N4O2 — CID 1338210

IUPAC2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H24N4O2/c1-4-14-24(20(26)17-12-8-9-13-18(17)22)19-15(2)23(3)25(21(19)27)16-10-6-5-7-11-16/h5-13H,4,14,22H2,1-3H3
InChIKeyGQPOWNIKEUUVGJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds5

About 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide

2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide (PubChem CID 1338210) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide
PubChem CID1338210
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H24N4O2/c1-4-14-24(20(26)17-12-8-9-13-18(17)22)19-15(2)23(3)25(21(19)27)16-10-6-5-7-11-16/h5-13H,4,14,22H2,1-3H3
InChIKeyGQPOWNIKEUUVGJ-UHFFFAOYSA-N
XLogP3.12
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide 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-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide?
The IUPAC name of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide (CID 1338210) is 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide.
What is the SMILES notation for 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide?
The canonical SMILES for 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide is CCCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide?
The InChIKey is GQPOWNIKEUUVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-14-24(20(26)17-12-8-9-13-18(17)22)19-15(2)23(3)25(21(19)27)16-10-6-5-7-11-16/h5-13H,4,14,22H2,1-3H3.
What are the key properties of 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide?
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-propylbenzamide is sourced from PubChem (CID 1338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).