3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole

C14H18N2O — CID 155131154

IUPAC3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole
SMILESCOc1ccc(CCc2nn(C)cc2C)cc1
InChIInChI=1S/C14H18N2O/c1-11-10-16(2)15-14(11)9-6-12-4-7-13(17-3)8-5-12/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyLUBAEWQSTRTATC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole

3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole (PubChem CID 155131154) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole
PubChem CID155131154
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole
SMILESCOc1ccc(CCc2nn(C)cc2C)cc1
InChIInChI=1S/C14H18N2O/c1-11-10-16(2)15-14(11)9-6-12-4-7-13(17-3)8-5-12/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyLUBAEWQSTRTATC-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 102802775
4-ethyl-5-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazol-3-amine
CID 43670771
3-ethyl-4-(4-methoxyphenyl)-1-methylpyrazole
CID 70834828
[1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 102804965
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588360
1,4-dimethyl-3-(3-methylbutyl)pyrazole
CID 58990513
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 102803821
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
CID 105423805
1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(2-phenylethyl)imidazole
CID 86210837
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
4-chloro-3-iodo-1-[2-(4-methoxyphenyl)ethyl]pyrazole
CID 79785349

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole (CID 155131154) is 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole is COc1ccc(CCc2nn(C)cc2C)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole?
The InChIKey is LUBAEWQSTRTATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-10-16(2)15-14(11)9-6-12-4-7-13(17-3)8-5-12/h4-5,7-8,10H,6,9H2,1-3H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole?
3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole is sourced from PubChem (CID 155131154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).