2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone

C12H14N4O — CID 105108355

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(C)nn2C)cn1
InChIInChI=1S/C12H14N4O/c1-8-4-10(16(3)15-8)5-12(17)11-7-13-9(2)6-14-11/h4,6-7H,5H2,1-3H3
InChIKeyUXWVSRFKEKWOJF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.25
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105108355) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105108355
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc(C)nn2C)cn1
InChIInChI=1S/C12H14N4O/c1-8-4-10(16(3)15-8)5-12(17)11-7-13-9(2)6-14-11/h4,6-7H,5H2,1-3H3
InChIKeyUXWVSRFKEKWOJF-UHFFFAOYSA-N
XLogP1.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanone
CID 105108396
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 107501634
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114978856
2-(3-methylphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105079337
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone (CID 105108355) is 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2cc(C)nn2C)cn1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is UXWVSRFKEKWOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-4-10(16(3)15-8)5-12(17)11-7-13-9(2)6-14-11/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 230.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105108355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).