N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C16H25N7O — CID 70755345

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C16H25N7O/c1-11-14(12(2)20-19-11)9-18-16(24)15-10-23(22-21-15)8-6-13-5-3-4-7-17-13/h10,13,17H,3-9H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyRFAABMYTBKJMHL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.08
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70755345) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70755345
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C16H25N7O/c1-11-14(12(2)20-19-11)9-18-16(24)15-10-23(22-21-15)8-6-13-5-3-4-7-17-13/h10,13,17H,3-9H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyRFAABMYTBKJMHL-UHFFFAOYSA-N
XLogP1.08
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-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-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 96582124
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
N-[3-chloro-4-(ethylcarbamoyl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide;hydrochloride
CID 154912901
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 95875073
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 131950023
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
6-[1-(2-piperidin-2-ylethyl)triazole-4-carbonyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70786975
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70717153

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70755345) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Cc1n[nH]c(C)c1CNC(=O)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is RFAABMYTBKJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-11-14(12(2)20-19-11)9-18-16(24)15-10-23(22-21-15)8-6-13-5-3-4-7-17-13/h10,13,17H,3-9H2,1-2H3,(H,18,24)(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70755345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).