1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea

C20H21ClN4O2 — CID 24776342

IUPAC1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)c1c(NC(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-16-12-8-7-11-15(16)21)19(26)25(24(18)3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H2,22,23,27)
InChIKeyNYMNKQKVDUIVME-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.60
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea

1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea (PubChem CID 24776342) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
PubChem CID24776342
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)c1c(NC(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-16-12-8-7-11-15(16)21)19(26)25(24(18)3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H2,22,23,27)
InChIKeyNYMNKQKVDUIVME-UHFFFAOYSA-N
XLogP4.60
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea 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

CID 24776341
CID 24776341
CID 2211632
CID 2211632
CID 735751
CID 735751
CID 1367800
CID 1367800
CID 2115027
CID 2115027
CID 2945312
CID 2945312
CID 980623
CID 980623
CID 2054164
CID 2054164
CID 287146
CID 287146
CID 1098728
CID 1098728
CID 16036926
CID 16036926
CID 22430390
CID 22430390

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea (CID 24776342) is 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea is CC(C)c1c(NC(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is NYMNKQKVDUIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-16-12-8-7-11-15(16)21)19(26)25(24(18)3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H2,22,23,27).
What are the key properties of 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea?
1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 384.87 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 24776342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).