1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C12H16N4O — CID 105100408

IUPAC1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)c1ccnn1C
InChIInChI=1S/C12H16N4O/c1-8-10(9(2)15(3)14-8)7-12(17)11-5-6-13-16(11)4/h5-6H,7H2,1-4H3
InChIKeyNZBFHTPZNMFMEW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.20
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 105100408) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID105100408
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)c1ccnn1C
InChIInChI=1S/C12H16N4O/c1-8-10(9(2)15(3)14-8)7-12(17)11-5-6-13-16(11)4/h5-6H,7H2,1-4H3
InChIKeyNZBFHTPZNMFMEW-UHFFFAOYSA-N
XLogP1.20
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105113419
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186
1-(5-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105111587
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105095663
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105132029
2-(5-bromofuran-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 130964771
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 79078086
3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491983

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 105100408) is 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is NZBFHTPZNMFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-10(9(2)15(3)14-8)7-12(17)11-5-6-13-16(11)4/h5-6H,7H2,1-4H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 232.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105100408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).