1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea

C19H24ClFN4O — CID 17183679

IUPAC1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea
SMILESCc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)NC1CCCCC1
InChIInChI=1S/C19H24ClFN4O/c1-12-18(23-19(26)22-16-6-4-3-5-7-16)13(2)25(24-12)11-14-8-9-15(21)10-17(14)20/h8-10,16H,3-7,11H2,1-2H3,(H2,22,23,26)
InChIKeyUFGZSMHECQXKQK-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.79
Rot. Bonds4

About 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea

1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea (PubChem CID 17183679) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea
PubChem CID17183679
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC Name1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea
SMILESCc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)NC1CCCCC1
InChIInChI=1S/C19H24ClFN4O/c1-12-18(23-19(26)22-16-6-4-3-5-7-16)13(2)25(24-12)11-14-8-9-15(21)10-17(14)20/h8-10,16H,3-7,11H2,1-2H3,(H2,22,23,26)
InChIKeyUFGZSMHECQXKQK-UHFFFAOYSA-N
XLogP4.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea 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-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea?
The IUPAC name of 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea (CID 17183679) is 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea is Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea?
The InChIKey is UFGZSMHECQXKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-12-18(23-19(26)22-16-6-4-3-5-7-16)13(2)25(24-12)11-14-8-9-15(21)10-17(14)20/h8-10,16H,3-7,11H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea?
1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea has a molecular weight of 378.88 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-cyclohexylurea is sourced from PubChem (CID 17183679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).