N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide

C18H24N4O2 — CID 17015496

IUPACN-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C18H24N4O2/c1-3-6-16-17(18(23)19-13-7-4-5-8-13)20-21-22(16)14-9-11-15(24-2)12-10-14/h9-13H,3-8H2,1-2H3,(H,19,23)
InChIKeyPJJDKBMQAVHOKS-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.90
Rot. Bonds6

About N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide

N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide (PubChem CID 17015496) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide
PubChem CID17015496
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C18H24N4O2/c1-3-6-16-17(18(23)19-13-7-4-5-8-13)20-21-22(16)14-9-11-15(24-2)12-10-14/h9-13H,3-8H2,1-2H3,(H,19,23)
InChIKeyPJJDKBMQAVHOKS-UHFFFAOYSA-N
XLogP2.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide (CID 17015496) is N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(OC)cc1.
What is the InChIKey of N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide?
The InChIKey is PJJDKBMQAVHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-6-16-17(18(23)19-13-7-4-5-8-13)20-21-22(16)14-9-11-15(24-2)12-10-14/h9-13H,3-8H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide?
N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-methoxyphenyl)-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 17015496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).