3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole

C9H16N2O — CID 166474309

IUPAC3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCCc1nn(CCOC)cc1C
InChIInChI=1S/C9H16N2O/c1-4-9-8(2)7-11(10-9)5-6-12-3/h7H,4-6H2,1-3H3
InChIKeyMGWINNFEOITOQC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.40
Rot. Bonds4

About 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole

3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole (PubChem CID 166474309) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole
PubChem CID166474309
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCCc1nn(CCOC)cc1C
InChIInChI=1S/C9H16N2O/c1-4-9-8(2)7-11(10-9)5-6-12-3/h7H,4-6H2,1-3H3
InChIKeyMGWINNFEOITOQC-UHFFFAOYSA-N
XLogP1.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-methoxy-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 46983106
[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194
3-ethyl-4-ethynyl-1-methyl-1H-pyrazole
CID 104276778
1-(2-methoxyethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
CID 131519345
9-[(1-Methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506850
1-(methoxymethyl)-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 77094245
(2S)-2-[methyl-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]amino]propanenitrile
CID 97878157
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 99716384
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpropoxy)ethanamine
CID 119051602
3-(1-Fluoroethyl)-1,4-dimethylpyrazole
CID 59340900
5-(1-Fluoroethyl)-1,4-dimethylpyrazole
CID 59340902
4-Ethyl-3-(1-fluoroethyl)-1-methylpyrazole
CID 68381439

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole (CID 166474309) is 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole is CCc1nn(CCOC)cc1C.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole?
The InChIKey is MGWINNFEOITOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9-8(2)7-11(10-9)5-6-12-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole?
3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-4-methylpyrazole is sourced from PubChem (CID 166474309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).