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

C19H19N5O — CID 121150130

IUPACN-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H19N5O/c25-19(20-16-9-5-2-6-10-16)23-12-11-17(13-23)24-14-18(21-22-24)15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,20,25)
InChIKeyDHUSMXHSFDPIIG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.42
Rot. Bonds3

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

N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 121150130) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID121150130
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H19N5O/c25-19(20-16-9-5-2-6-10-16)23-12-11-17(13-23)24-14-18(21-22-24)15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,20,25)
InChIKeyDHUSMXHSFDPIIG-UHFFFAOYSA-N
XLogP3.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150131
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
N-(4-butoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150142
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149930
N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
CID 31134393
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
2-benzylsulfanyl-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986511

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide (CID 121150130) is N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is DHUSMXHSFDPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(20-16-9-5-2-6-10-16)23-12-11-17(13-23)24-14-18(21-22-24)15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,20,25).
What are the key properties of N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121150130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).