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

C19H18FN5O — CID 121150134

IUPACN-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H18FN5O/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)
InChIKeyPAIZRDUTYZHOEE-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.56
Rot. Bonds3

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

N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 121150134) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID121150134
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC NameN-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H18FN5O/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)
InChIKeyPAIZRDUTYZHOEE-UHFFFAOYSA-N
XLogP3.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150131
N-(4-butoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150142
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121149899
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
(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
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide (CID 121150134) is N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is PAIZRDUTYZHOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/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-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide?
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121150134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).