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

C16H19ClN2O2 — CID 114980527

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2ccc(C)c(OC)c2)c1Cl
InChIInChI=1S/C16H19ClN2O2/c1-5-12-16(17)13(19(3)18-12)9-14(20)11-7-6-10(2)15(8-11)21-4/h6-8H,5,9H2,1-4H3
InChIKeyRGGIYPPTSFDHFZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.38
Rot. Bonds5

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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone (PubChem CID 114980527) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
PubChem CID114980527
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2ccc(C)c(OC)c2)c1Cl
InChIInChI=1S/C16H19ClN2O2/c1-5-12-16(17)13(19(3)18-12)9-14(20)11-7-6-10(2)15(8-11)21-4/h6-8H,5,9H2,1-4H3
InChIKeyRGGIYPPTSFDHFZ-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114979303
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone
CID 114980456
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977022
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-(2,4-dibromophenyl)ethanone
CID 107944570
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105109672
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754690
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 114979273
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967652
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
1-(2-amino-4-bromophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116591953

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone (CID 114980527) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone is CCc1nn(C)c(CC(=O)c2ccc(C)c(OC)c2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone?
The InChIKey is RGGIYPPTSFDHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-5-12-16(17)13(19(3)18-12)9-14(20)11-7-6-10(2)15(8-11)21-4/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone has a molecular weight of 306.79 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 114980527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).