N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide

C19H18ClN5O — CID 121150131

IUPACN-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H18ClN5O/c20-15-6-8-16(9-7-15)21-19(26)24-11-10-17(12-24)25-13-18(22-23-25)14-4-2-1-3-5-14/h1-9,13,17H,10-12H2,(H,21,26)
InChIKeyLOKIHBVNXSZMNV-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.08
Rot. Bonds3

About N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide

N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 121150131) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID121150131
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H18ClN5O/c20-15-6-8-16(9-7-15)21-19(26)24-11-10-17(12-24)25-13-18(22-23-25)14-4-2-1-3-5-14/h1-9,13,17H,10-12H2,(H,21,26)
InChIKeyLOKIHBVNXSZMNV-UHFFFAOYSA-N
XLogP4.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide (CID 121150131) is N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is LOKIHBVNXSZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-15-6-8-16(9-7-15)21-19(26)24-11-10-17(12-24)25-13-18(22-23-25)14-4-2-1-3-5-14/h1-9,13,17H,10-12H2,(H,21,26).
What are the key properties of N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121150131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).