N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

C16H24N6O2 — CID 45212693

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cn(CC3CCCO3)nn2)c1C
InChIInChI=1S/C16H24N6O2/c1-4-22-12(3)14(11(2)19-22)8-17-16(23)15-10-21(20-18-15)9-13-6-5-7-24-13/h10,13H,4-9H2,1-3H3,(H,17,23)
InChIKeyUNOKNGNQUUPOCE-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.22
Rot. Bonds6

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 45212693) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID45212693
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cn(CC3CCCO3)nn2)c1C
InChIInChI=1S/C16H24N6O2/c1-4-22-12(3)14(11(2)19-22)8-17-16(23)15-10-21(20-18-15)9-13-6-5-7-24-13/h10,13H,4-9H2,1-3H3,(H,17,23)
InChIKeyUNOKNGNQUUPOCE-UHFFFAOYSA-N
XLogP1.22
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56892131
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95711095
4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 17025316
1-(difluoromethyl)-N-[1-ethyl-3-[[(2R)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
CID 40433676
1-(difluoromethyl)-N-[1-ethyl-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrazol-4-yl]-5-methylpyrazole-3-carboxamide
CID 40433677
1-({(2S)-1-[3-(3,5-Dimethyl-1H-pyrazol-1-YL)propanoyl]-4,4-difluoro-2-pyrrolidinyl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137892453
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-[2-(diethylamino)-2-oxoethyl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 25372942
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 45212693) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is CCn1nc(C)c(CNC(=O)c2cn(CC3CCCO3)nn2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is UNOKNGNQUUPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-22-12(3)14(11(2)19-22)8-17-16(23)15-10-21(20-18-15)9-13-6-5-7-24-13/h10,13H,4-9H2,1-3H3,(H,17,23).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 45212693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).