N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide

C15H22F2N4O — CID 154794848

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
SMILESCn1c(CNC(=O)C2(C(F)F)CCCC2)nnc1C1CCC1
InChIInChI=1S/C15H22F2N4O/c1-21-11(19-20-12(21)10-5-4-6-10)9-18-14(22)15(13(16)17)7-2-3-8-15/h10,13H,2-9H2,1H3,(H,18,22)
InChIKeyHYFJWWODZRRHOO-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.52
Rot. Bonds5

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide (PubChem CID 154794848) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
PubChem CID154794848
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide
SMILESCn1c(CNC(=O)C2(C(F)F)CCCC2)nnc1C1CCC1
InChIInChI=1S/C15H22F2N4O/c1-21-11(19-20-12(21)10-5-4-6-10)9-18-14(22)15(13(16)17)7-2-3-8-15/h10,13H,2-9H2,1H3,(H,18,22)
InChIKeyHYFJWWODZRRHOO-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide 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-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide (CID 154794848) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide is Cn1c(CNC(=O)C2(C(F)F)CCCC2)nnc1C1CCC1.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is HYFJWWODZRRHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-21-11(19-20-12(21)10-5-4-6-10)9-18-14(22)15(13(16)17)7-2-3-8-15/h10,13H,2-9H2,1H3,(H,18,22).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(difluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154794848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).