N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide

C15H19N5O — CID 128532338

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide
SMILESCc1nc(NC(=O)C2CCCN2c2ccccc2)nn1C
InChIInChI=1S/C15H19N5O/c1-11-16-15(18-19(11)2)17-14(21)13-9-6-10-20(13)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,17,18,21)
InChIKeyVRPNMKIYNHGUMF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.73
Rot. Bonds3

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide (PubChem CID 128532338) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide
PubChem CID128532338
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide
SMILESCc1nc(NC(=O)C2CCCN2c2ccccc2)nn1C
InChIInChI=1S/C15H19N5O/c1-11-16-15(18-19(11)2)17-14(21)13-9-6-10-20(13)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,17,18,21)
InChIKeyVRPNMKIYNHGUMF-UHFFFAOYSA-N
XLogP1.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrrolidine-2-carboxamide
CID 139009521
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 154736095
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
CID 139006084
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1S,2R)-2-phenylcyclohexyl]urea
CID 164636865
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
N-(diaminomethylidene)-1-phenylpyrrolidine-2-carboxamide
CID 54358653
(2R)-1-phenyl-N-pyrazin-2-ylsulfonylpyrrolidine-2-carboxamide
CID 124733555
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
2-hydroxy-4-oxo-4-(1-phenylpyrrolidin-2-yl)but-2-enoic acid
CID 174437161
(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide
CID 124882382
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide (CID 128532338) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide is Cc1nc(NC(=O)C2CCCN2c2ccccc2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is VRPNMKIYNHGUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-16-15(18-19(11)2)17-14(21)13-9-6-10-20(13)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128532338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).