1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone

C12H17N5O — CID 107063028

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCCc1cc(C(=O)Cc2cn(C)nn2)n(CC)n1
InChIInChI=1S/C12H17N5O/c1-4-9-6-11(17(5-2)14-9)12(18)7-10-8-16(3)15-13-10/h6,8H,4-5,7H2,1-3H3
InChIKeySQYLKZAQMPDMLQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.02
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107063028) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107063028
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCCc1cc(C(=O)Cc2cn(C)nn2)n(CC)n1
InChIInChI=1S/C12H17N5O/c1-4-9-6-11(17(5-2)14-9)12(18)7-10-8-16(3)15-13-10/h6,8H,4-5,7H2,1-3H3
InChIKeySQYLKZAQMPDMLQ-UHFFFAOYSA-N
XLogP1.02
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063008
1-(1,3-diethylpyrazol-5-yl)-2-(2,5-difluorophenyl)ethanone
CID 105082420
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
ethane;4-ethyl-1-methyltriazole
CID 143593274
2-(1-methyltriazol-4-yl)-1-phenylethanone
CID 107046867
2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
CID 105090121
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123838
1-(3-bromo-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107944900
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671135
1-(2,5-dimethylfuran-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062798
2-(1-methyltriazol-4-yl)-1-(thiadiazol-4-yl)ethanone
CID 107062878

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107063028) is 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone is CCc1cc(C(=O)Cc2cn(C)nn2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is SQYLKZAQMPDMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-9-6-11(17(5-2)14-9)12(18)7-10-8-16(3)15-13-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 247.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107063028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).