5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide

C23H26N4O3 — CID 86883578

IUPAC5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(COCCCNC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-20-12-8-17(9-13-20)16-30-15-5-14-24-23(28)21-25-22(18-10-11-18)27(26-21)19-6-3-2-4-7-19/h2-4,6-9,12-13,18H,5,10-11,14-16H2,1H3,(H,24,28)
InChIKeyURHDXGSYWZOGME-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.49
Rot. Bonds10

About 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 86883578) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID86883578
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(COCCCNC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-20-12-8-17(9-13-20)16-30-15-5-14-24-23(28)21-25-22(18-10-11-18)27(26-21)19-6-3-2-4-7-19/h2-4,6-9,12-13,18H,5,10-11,14-16H2,1H3,(H,24,28)
InChIKeyURHDXGSYWZOGME-UHFFFAOYSA-N
XLogP3.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzylsulfonylpropyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881708
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
5-cyclopropyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881324
5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 111332085
5-cyclopropyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881682
5-cyclopropyl-N-[1-(4-fluorophenoxy)propan-2-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881413
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
N-[4-(cyanomethyl)phenyl]-5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 56823295
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
5-cyclopropyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881405
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
CID 120630633
5-cyclopropyl-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881343

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide (CID 86883578) is 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(COCCCNC(=O)c2nc(C3CC3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is URHDXGSYWZOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-12-8-17(9-13-20)16-30-15-5-14-24-23(28)21-25-22(18-10-11-18)27(26-21)19-6-3-2-4-7-19/h2-4,6-9,12-13,18H,5,10-11,14-16H2,1H3,(H,24,28).
What are the key properties of 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-[(4-methoxyphenyl)methoxy]propyl]-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86883578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).