4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole

C14H18N2O — CID 121498919

IUPAC4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole
SMILESCCc1ccc(-c2c(COC)n[nH]c2C)cc1
InChIInChI=1S/C14H18N2O/c1-4-11-5-7-12(8-6-11)14-10(2)15-16-13(14)9-17-3/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyBHXAHRSVEMFJMX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.09
Rot. Bonds4

About 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole

4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole (PubChem CID 121498919) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole
PubChem CID121498919
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole
SMILESCCc1ccc(-c2c(COC)n[nH]c2C)cc1
InChIInChI=1S/C14H18N2O/c1-4-11-5-7-12(8-6-11)14-10(2)15-16-13(14)9-17-3/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyBHXAHRSVEMFJMX-UHFFFAOYSA-N
XLogP3.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole (CID 121498919) is 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole is CCc1ccc(-c2c(COC)n[nH]c2C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole?
The InChIKey is BHXAHRSVEMFJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-11-5-7-12(8-6-11)14-10(2)15-16-13(14)9-17-3/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole?
4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-(methoxymethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 121498919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).