1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone

C10H16N2O2 — CID 62727070

IUPAC1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCOCCn1nc(C)c(C(C)=O)c1C
InChIInChI=1S/C10H16N2O2/c1-7-10(9(3)13)8(2)12(11-7)5-6-14-4/h5-6H2,1-4H3
InChIKeyGMRIBPHVOLHNPC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.35
Rot. Bonds4

About 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone

1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 62727070) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID62727070
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCOCCn1nc(C)c(C(C)=O)c1C
InChIInChI=1S/C10H16N2O2/c1-7-10(9(3)13)8(2)12(11-7)5-6-14-4/h5-6H2,1-4H3
InChIKeyGMRIBPHVOLHNPC-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 653648
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 3157461
1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 136903
1,3,5-trimethyl-1H-pyrazole-4-carboxaldehyde
CID 736515
1-(3,5-dimethyl-1-(morpholine-4-carbonyl)-1H-pyrazol-4-yl)ethanone
CID 2928061
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 2984081
4-Formyl-3,5-dimethyl-1H-pyrazole-1-propanoic acid
CID 30491485
3,5-Dimethyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 6486756
1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 24693890
methyl 3-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoate
CID 30491482
1-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 54593716
1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 2776936

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone (CID 62727070) is 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone is COCCn1nc(C)c(C(C)=O)c1C.
What is the InChIKey of 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is GMRIBPHVOLHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-10(9(3)13)8(2)12(11-7)5-6-14-4/h5-6H2,1-4H3.
What are the key properties of 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 196.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 62727070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).