N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

C16H24N6O2 — CID 95711095

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C[C@H]2CCCO2)nn1
InChIInChI=1S/C16H24N6O2/c1-11-14(12(2)18-17-11)6-7-21(3)16(23)15-10-22(20-19-15)9-13-5-4-8-24-13/h10,13H,4-9H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyFJCHAGPLWVASJI-CYBMUJFWSA-N
MW332.41 g/mol
LogP1.11
Rot. Bonds6

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

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 95711095) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID95711095
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C[C@H]2CCCO2)nn1
InChIInChI=1S/C16H24N6O2/c1-11-14(12(2)18-17-11)6-7-21(3)16(23)15-10-22(20-19-15)9-13-5-4-8-24-13/h10,13H,4-9H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyFJCHAGPLWVASJI-CYBMUJFWSA-N
XLogP1.11
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45212693
1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
CID 95723235
1-({(2S,4S)-1-[3-(3,5-Dimethyl-1H-pyrazol-4-YL)propanoyl]-4-fluorotetrahydro-1H-pyrrol-2-YL}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137902241
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56887016
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56888546
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N-methyl-1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 56891255
1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
CID 56898638
N-methyl-1-[2-(4-morpholinyl)ethyl]-N-[(5-propyl-1H-pyrazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 28731627
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
CID 42519933
N-methyl-1-[[(2R)-oxolan-2-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
CID 42519934
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45210158
N-isopropyl-1-(tetrahydro-2-furanylmethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 45214039

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 95711095) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C[C@H]2CCCO2)nn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is FJCHAGPLWVASJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-14(12(2)18-17-11)6-7-21(3)16(23)15-10-22(20-19-15)9-13-5-4-8-24-13/h10,13H,4-9H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95711095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).