1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide

C17H20N6O — CID 94811626

IUPAC1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC[C@@H](C)Cn3cccn3)nn2)cc1
InChIInChI=1S/C17H20N6O/c1-13-4-6-15(7-5-13)23-12-16(20-21-23)17(24)18-10-14(2)11-22-9-3-8-19-22/h3-9,12,14H,10-11H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeySQJKQFMHCPMZOG-CQSZACIVSA-N
MW324.39 g/mol
LogP1.84
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide

1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide (PubChem CID 94811626) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide
PubChem CID94811626
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NC[C@@H](C)Cn3cccn3)nn2)cc1
InChIInChI=1S/C17H20N6O/c1-13-4-6-15(7-5-13)23-12-16(20-21-23)17(24)18-10-14(2)11-22-9-3-8-19-22/h3-9,12,14H,10-11H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeySQJKQFMHCPMZOG-CQSZACIVSA-N
XLogP1.84
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
2-(4-methylphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 51116196
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436
N-(2-methylbutan-2-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 39394633
4-methyl-2-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]pentanoic acid
CID 119188574
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 100755134
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804622

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide (CID 94811626) is 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NC[C@@H](C)Cn3cccn3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide?
The InChIKey is SQJKQFMHCPMZOG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-4-6-15(7-5-13)23-12-16(20-21-23)17(24)18-10-14(2)11-22-9-3-8-19-22/h3-9,12,14H,10-11H2,1-2H3,(H,18,24)/t14-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide?
1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 94811626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).