N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide

C17H22N4O3 — CID 23608122

IUPACN-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nc(CO)c(C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C17H22N4O3/c1-2-24-14-9-7-13(8-10-14)21-19-15(11-22)16(20-21)17(23)18-12-5-3-4-6-12/h7-10,12,22H,2-6,11H2,1H3,(H,18,23)
InChIKeyUYZGFBVLXGUZRK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.83
Rot. Bonds6

About N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide

N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide (PubChem CID 23608122) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
PubChem CID23608122
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nc(CO)c(C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C17H22N4O3/c1-2-24-14-9-7-13(8-10-14)21-19-15(11-22)16(20-21)17(23)18-12-5-3-4-6-12/h7-10,12,22H,2-6,11H2,1H3,(H,18,23)
InChIKeyUYZGFBVLXGUZRK-UHFFFAOYSA-N
XLogP1.83
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)triazole-4-carboxamide
CID 46262752
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
N-cyclohexyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109183016
N-cycloheptyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 5224935
2-(3-chlorophenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 4963637
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
1-cyclohexyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40912999
N-cyclohexyl-4-[2-[(4-ethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 46381876
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide (CID 23608122) is N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide is CCOc1ccc(-n2nc(CO)c(C(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The InChIKey is UYZGFBVLXGUZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-24-14-9-7-13(8-10-14)21-19-15(11-22)16(20-21)17(23)18-12-5-3-4-6-12/h7-10,12,22H,2-6,11H2,1H3,(H,18,23).
What are the key properties of N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide?
N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-ethoxyphenyl)-5-(hydroxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 23608122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).