N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C16H25N7O — CID 70706385

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C16H25N7O/c1-12-13(10-22(2)20-12)9-18-16(24)15-11-23(21-19-15)8-6-14-5-3-4-7-17-14/h10-11,14,17H,3-9H2,1-2H3,(H,18,24)
InChIKeyMSVLAZUNWQHASS-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.78
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70706385) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70706385
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C16H25N7O/c1-12-13(10-22(2)20-12)9-18-16(24)15-11-23(21-19-15)8-6-14-5-3-4-7-17-14/h10-11,14,17H,3-9H2,1-2H3,(H,18,24)
InChIKeyMSVLAZUNWQHASS-UHFFFAOYSA-N
XLogP0.78
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415372
N-(1-((1-(cyclohexylmethyl)-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 132220116
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467
1-(2-cyclohexylethyl)-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 45180830
4-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 46986417
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56892131
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70764277

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70706385) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Cc1nn(C)cc1CNC(=O)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is MSVLAZUNWQHASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-12-13(10-22(2)20-12)9-18-16(24)15-11-23(21-19-15)8-6-14-5-3-4-7-17-14/h10-11,14,17H,3-9H2,1-2H3,(H,18,24).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70706385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).