3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea

C19H20N4O2 — CID 2945312

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea
SMILESCc1c(NC(=O)N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N4O2/c1-14-17(20-19(25)21(2)15-10-6-4-7-11-15)18(24)23(22(14)3)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,20,25)
InChIKeyGLRJAYODXPDRPO-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.15
Rot. Bonds3

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea (PubChem CID 2945312) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea
PubChem CID2945312
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea
SMILESCc1c(NC(=O)N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H20N4O2/c1-14-17(20-19(25)21(2)15-10-6-4-7-11-15)18(24)23(22(14)3)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,20,25)
InChIKeyGLRJAYODXPDRPO-UHFFFAOYSA-N
XLogP3.15
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea 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 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea (CID 2945312) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea is Cc1c(NC(=O)N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
The InChIKey is GLRJAYODXPDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-17(20-19(25)21(2)15-10-6-4-7-11-15)18(24)23(22(14)3)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,20,25).
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea has a molecular weight of 336.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-phenylurea is sourced from PubChem (CID 2945312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).