1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea

C17H24ClF3N4O — CID 17300273

IUPAC1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea
SMILESO=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1
InChIInChI=1S/C17H24ClF3N4O/c18-13-14(11-7-8-11)25(24-15(13)17(19,20)21)10-4-9-22-16(26)23-12-5-2-1-3-6-12/h11-12H,1-10H2,(H2,22,23,26)
InChIKeyRNAQXHGYLIGEAS-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.45
Rot. Bonds6

About 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea

1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea (PubChem CID 17300273) has the molecular formula C17H24ClF3N4O and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea
PubChem CID17300273
Molecular FormulaC17H24ClF3N4O
Molecular Weight392.85 g/mol
Exact Mass392.16
IUPAC Name1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea
SMILESO=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1
InChIInChI=1S/C17H24ClF3N4O/c18-13-14(11-7-8-11)25(24-15(13)17(19,20)21)10-4-9-22-16(26)23-12-5-2-1-3-6-12/h11-12H,1-10H2,(H2,22,23,26)
InChIKeyRNAQXHGYLIGEAS-UHFFFAOYSA-N
XLogP4.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-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-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea (CID 17300273) is 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea is O=C(NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1.
What is the InChIKey of 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
The InChIKey is RNAQXHGYLIGEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClF3N4O/c18-13-14(11-7-8-11)25(24-15(13)17(19,20)21)10-4-9-22-16(26)23-12-5-2-1-3-6-12/h11-12H,1-10H2,(H2,22,23,26).
What are the key properties of 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea has a molecular weight of 392.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea is sourced from PubChem (CID 17300273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).