1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide

C14H15ClN4O — CID 20973789

IUPAC1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C14H15ClN4O/c15-10-4-3-7-12(8-10)19-9-13(17-18-19)14(20)16-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,20)
InChIKeyJWFRBQQONYHECS-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide

1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide (PubChem CID 20973789) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
PubChem CID20973789
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn(-c2cccc(Cl)c2)nn1
InChIInChI=1S/C14H15ClN4O/c15-10-4-3-7-12(8-10)19-9-13(17-18-19)14(20)16-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,20)
InChIKeyJWFRBQQONYHECS-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide (CID 20973789) is 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide is O=C(NC1CCCC1)c1cn(-c2cccc(Cl)c2)nn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
The InChIKey is JWFRBQQONYHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-10-4-3-7-12(8-10)19-9-13(17-18-19)14(20)16-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,16,20).
What are the key properties of 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide?
1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide is sourced from PubChem (CID 20973789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).