1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide

C19H20N4O2 — CID 53051651

IUPAC1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-16-8-4-5-14(12-16)20-19(24)13-9-10-18-17(11-13)21-22-23(18)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,20,24)
InChIKeyZVKJVPLMIMDXBG-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.81
Rot. Bonds4

About 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide

1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide (PubChem CID 53051651) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide
PubChem CID53051651
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-16-8-4-5-14(12-16)20-19(24)13-9-10-18-17(11-13)21-22-23(18)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,20,24)
InChIKeyZVKJVPLMIMDXBG-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide (CID 53051651) is 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide?
The InChIKey is ZVKJVPLMIMDXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-16-8-4-5-14(12-16)20-19(24)13-9-10-18-17(11-13)21-22-23(18)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,20,24).
What are the key properties of 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide?
1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-methoxyphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 53051651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).