2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone

C12H15ClN4O — CID 107977022

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2cn(C)cn2)c1Cl
InChIInChI=1S/C12H15ClN4O/c1-4-8-12(13)10(17(3)15-8)5-11(18)9-6-16(2)7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyCJQJMJAGWMDQPV-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.79
Rot. Bonds4

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 107977022) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID107977022
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2cn(C)cn2)c1Cl
InChIInChI=1S/C12H15ClN4O/c1-4-8-12(13)10(17(3)15-8)5-11(18)9-6-16(2)7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyCJQJMJAGWMDQPV-UHFFFAOYSA-N
XLogP1.79
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977055
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105109672
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 114980388
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone
CID 114980456
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116585620
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114980376
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967652
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114980527
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944570
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 114980424
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116590517

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone (CID 107977022) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone is CCc1nn(C)c(CC(=O)c2cn(C)cn2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is CJQJMJAGWMDQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-4-8-12(13)10(17(3)15-8)5-11(18)9-6-16(2)7-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 266.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 107977022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).