2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C16H22F2N6O — CID 127837157

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCc1nnc2n1CCCC2
InChIInChI=1S/C16H22F2N6O/c1-10-12(11(2)24(22-10)16(17)18)9-15(25)19-7-6-14-21-20-13-5-3-4-8-23(13)14/h16H,3-9H2,1-2H3,(H,19,25)
InChIKeyMLDXIYSVLZCGEJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.72
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 127837157) has the molecular formula C16H22F2N6O and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID127837157
Molecular FormulaC16H22F2N6O
Molecular Weight352.39 g/mol
Exact Mass352.18
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCc1nnc2n1CCCC2
InChIInChI=1S/C16H22F2N6O/c1-10-12(11(2)24(22-10)16(17)18)9-15(25)19-7-6-14-21-20-13-5-3-4-8-23(13)14/h16H,3-9H2,1-2H3,(H,19,25)
InChIKeyMLDXIYSVLZCGEJ-UHFFFAOYSA-N
XLogP1.72
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 47017167
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide
CID 139005200
2-(4-bromophenyl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 51304500
2-[(2-methylpropan-2-yl)oxy]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 86800569
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 49066002
2-pyrrolidin-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 119839638
1-ethyl-2,5-dimethyl-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrole-3-carboxamide
CID 86800562
2-methyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclopropane-1-carboxamide
CID 47137277
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 51323432
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 71896191

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 127837157) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCCc1nnc2n1CCCC2.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is MLDXIYSVLZCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N6O/c1-10-12(11(2)24(22-10)16(17)18)9-15(25)19-7-6-14-21-20-13-5-3-4-8-23(13)14/h16H,3-9H2,1-2H3,(H,19,25).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 127837157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).