1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide

C16H19ClN4O — CID 44782567

IUPAC1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
SMILESCc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H19ClN4O/c1-10-7-8-12(17)9-14(10)21-11(2)15(19-20-21)16(22)18-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3,(H,18,22)
InChIKeyDIKPUCVEFPJGTC-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.21
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide

1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide (PubChem CID 44782567) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
PubChem CID44782567
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
SMILESCc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C16H19ClN4O/c1-10-7-8-12(17)9-14(10)21-11(2)15(19-20-21)16(22)18-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3,(H,18,22)
InChIKeyDIKPUCVEFPJGTC-UHFFFAOYSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 46857957
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
propyl 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836328
1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyltriazole-4-carboxamide
CID 9151580
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-cyclohexyl-5-methyltriazole-4-carboxamide
CID 17015379
methyl 2-[[1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 9152403
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-amino-N-cyclohexyl-1-(3-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 6498309
cis-(1R,3S)-3-[[1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677527

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide (CID 44782567) is 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide is Cc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCC2)c1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide?
The InChIKey is DIKPUCVEFPJGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-7-8-12(17)9-14(10)21-11(2)15(19-20-21)16(22)18-13-5-3-4-6-13/h7-9,13H,3-6H2,1-2H3,(H,18,22).
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide?
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 44782567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).