1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone

C12H16N4O — CID 105123838

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1C(=O)Cc1ccn(C)n1
InChIInChI=1S/C12H16N4O/c1-4-16-11(7-9(2)13-16)12(17)8-10-5-6-15(3)14-10/h5-7H,4,8H2,1-3H3
InChIKeyFIOMXWIBMSQHFD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.37
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 105123838) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID105123838
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1C(=O)Cc1ccn(C)n1
InChIInChI=1S/C12H16N4O/c1-4-16-11(7-9(2)13-16)12(17)8-10-5-6-15(3)14-10/h5-7H,4,8H2,1-3H3
InChIKeyFIOMXWIBMSQHFD-UHFFFAOYSA-N
XLogP1.37
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105128789
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-3-yl)ethanone
CID 105126066
1-(2-ethyl-5-methylpyrazol-3-yl)-2-thiophen-3-ylethanone
CID 105091117
2-(3-bromothiophen-2-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 105092870
1-(2-ethyl-5-methylpyrazol-3-yl)but-3-en-1-one
CID 105083176
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
1-(1,3-diethylpyrazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063028
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylsulfonylpropan-1-one
CID 114983951
1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793097
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869123
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone (CID 105123838) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone is CCn1nc(C)cc1C(=O)Cc1ccn(C)n1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is FIOMXWIBMSQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-16-11(7-9(2)13-16)12(17)8-10-5-6-15(3)14-10/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 232.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105123838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).