5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide

C23H26N4O2 — CID 86874503

IUPAC5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCc3cccc(OC(C)C)c3)c2C2CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-15(2)29-20-6-4-5-17(13-20)14-24-23(28)21-22(18-9-10-18)27(26-25-21)19-11-7-16(3)8-12-19/h4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,24,28)
InChIKeyONJGAHPFSNZBPK-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.17
Rot. Bonds7

About 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide

5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 86874503) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
PubChem CID86874503
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCc3cccc(OC(C)C)c3)c2C2CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-15(2)29-20-6-4-5-17(13-20)14-24-23(28)21-22(18-9-10-18)27(26-25-21)19-11-7-16(3)8-12-19/h4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,24,28)
InChIKeyONJGAHPFSNZBPK-UHFFFAOYSA-N
XLogP4.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874598
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070
5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
CID 86887909
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86972051
methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 86965087
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874499
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873892
(1R,2R,3S)-2,3-dimethyl-1-oxo-N-[(3-propan-2-yloxyphenyl)methyl]-1,4-thiazinane-4-carboxamide
CID 98772351
1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 96990190

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide (CID 86874503) is 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NCc3cccc(OC(C)C)c3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is ONJGAHPFSNZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)29-20-6-4-5-17(13-20)14-24-23(28)21-22(18-9-10-18)27(26-25-21)19-11-7-16(3)8-12-19/h4-8,11-13,15,18H,9-10,14H2,1-3H3,(H,24,28).
What are the key properties of 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide?
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 86874503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).