3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide

C16H21N5O — CID 121150133

IUPAC3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H21N5O/c1-2-9-17-16(22)20-10-8-14(11-20)21-12-15(18-19-21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,22)
InChIKeyLRMTXGFVOUAXGO-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.31
Rot. Bonds4

About 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide

3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 121150133) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
PubChem CID121150133
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H21N5O/c1-2-9-17-16(22)20-10-8-14(11-20)21-12-15(18-19-21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,22)
InChIKeyLRMTXGFVOUAXGO-UHFFFAOYSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.31
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-butoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150142
N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150163
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150131
2-benzylsulfanyl-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986511
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
3-phenylsulfanyl-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 86264909

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide (CID 121150133) is 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is LRMTXGFVOUAXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-9-17-16(22)20-10-8-14(11-20)21-12-15(18-19-21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,22).
What are the key properties of 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide?
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 121150133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).