3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide

C15H19N5O — CID 110196054

IUPAC3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESCn1cnnc1CC1CCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H19N5O/c1-19-11-16-18-14(19)9-12-7-8-20(10-12)15(21)17-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,21)
InChIKeyBLJHURPXMKAWQU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.91
Rot. Bonds3

About 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide

3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 110196054) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID110196054
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESCn1cnnc1CC1CCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H19N5O/c1-19-11-16-18-14(19)9-12-7-8-20(10-12)15(21)17-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,21)
InChIKeyBLJHURPXMKAWQU-UHFFFAOYSA-N
XLogP1.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
CID 645891
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(m-tolyl)-1-phenyl-urea
CID 44455072
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(o-tolyl)-1-phenyl-urea
CID 44455103
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,3-diphenyl-urea
CID 44455144
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-propyl-urea
CID 44455177
3-cyclopentyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455180
3-cyclohexyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455223
1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
CID 138674558
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CID 44455069
3-benzyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455106
3-isopropyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455143
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(2-methylcyclohexyl)urea
CID 156015067

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide (CID 110196054) is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide is Cn1cnnc1CC1CCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is BLJHURPXMKAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-11-16-18-14(19)9-12-7-8-20(10-12)15(21)17-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,17,21).
What are the key properties of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide?
3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110196054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).