N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide

C17H24F3N3O — CID 4771061

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C1CCCCC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-11-14(12-7-8-12)23(22-15)10-4-9-21-16(24)13-5-2-1-3-6-13/h11-13H,1-10H2,(H,21,24)
InChIKeyOCUURYUPCRHLCO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.87
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide (PubChem CID 4771061) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide
PubChem CID4771061
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C1CCCCC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-11-14(12-7-8-12)23(22-15)10-4-9-21-16(24)13-5-2-1-3-6-13/h11-13H,1-10H2,(H,21,24)
InChIKeyOCUURYUPCRHLCO-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide 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 N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide (CID 4771061) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide is O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C1CCCCC1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
The InChIKey is OCUURYUPCRHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)15-11-14(12-7-8-12)23(22-15)10-4-9-21-16(24)13-5-2-1-3-6-13/h11-13H,1-10H2,(H,21,24).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 4771061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).