1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole

C14H18N2O — CID 142034096

IUPAC1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole
SMILESCCc1ccc(OCn2nc(C)cc2C)cc1
InChIInChI=1S/C14H18N2O/c1-4-13-5-7-14(8-6-13)17-10-16-12(3)9-11(2)15-16/h5-9H,4,10H2,1-3H3
InChIKeyCDOIPZZFONYWGR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds4

About 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole

1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole (PubChem CID 142034096) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole
PubChem CID142034096
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole
SMILESCCc1ccc(OCn2nc(C)cc2C)cc1
InChIInChI=1S/C14H18N2O/c1-4-13-5-7-14(8-6-13)17-10-16-12(3)9-11(2)15-16/h5-9H,4,10H2,1-3H3
InChIKeyCDOIPZZFONYWGR-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methoxy]benzaldehyde
CID 19618615
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 2180897
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
1-ethyl-3,5-dimethylpyrazole
CID 565993
2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16783595
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
4,6-dichloro-2-[(4-ethylphenoxy)methyl]pyrimidine
CID 82169633
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole (CID 142034096) is 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole is CCc1ccc(OCn2nc(C)cc2C)cc1.
What is the InChIKey of 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole?
The InChIKey is CDOIPZZFONYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-13-5-7-14(8-6-13)17-10-16-12(3)9-11(2)15-16/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole?
1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 142034096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).