N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide

C17H20N6O — CID 56886594

IUPACN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H20N6O/c1-21(10-6-7-14-11-18-22(2)12-14)17(24)16-13-23(20-19-16)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3
InChIKeyIJLIWWJDTHUBFU-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.71
Rot. Bonds6

About N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide

N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide (PubChem CID 56886594) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide
PubChem CID56886594
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide
SMILESCN(CCCc1cnn(C)c1)C(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H20N6O/c1-21(10-6-7-14-11-18-22(2)12-14)17(24)16-13-23(20-19-16)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3
InChIKeyIJLIWWJDTHUBFU-UHFFFAOYSA-N
XLogP1.71
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(3-methylbutyl)-1-phenyltriazole-4-carboxamide
CID 86929679
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 70747441
N-methyl-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 56909680
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 95399063
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436
4-[[1-(2-chlorophenyl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 119172878
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97206840
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-cyclobutyl-N-(2-hydroxyethyl)-1-phenyltriazole-4-carboxamide
CID 102684340

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide (CID 56886594) is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide is CN(CCCc1cnn(C)c1)C(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is IJLIWWJDTHUBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21(10-6-7-14-11-18-22(2)12-14)17(24)16-13-23(20-19-16)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide?
N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56886594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).