1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

C17H14Cl2N4O — CID 2815052

IUPAC1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
InChIKeyKGRZXKVVBCVGDE-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.13
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea

1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 2815052) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID2815052
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14Cl2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
InChIKeyKGRZXKVVBCVGDE-UHFFFAOYSA-N
XLogP5.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea (CID 2815052) is 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is KGRZXKVVBCVGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea?
1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea has a molecular weight of 361.23 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 2815052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).