5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole

C12H14N2O — CID 70801967

IUPAC5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole
SMILESCCOc1ccccc1-c1[nH]ncc1C
InChIInChI=1S/C12H14N2O/c1-3-15-11-7-5-4-6-10(11)12-9(2)8-13-14-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyOLSVSVQMTRAHED-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.78
Rot. Bonds3

About 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole

5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole (PubChem CID 70801967) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole
PubChem CID70801967
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole
SMILESCCOc1ccccc1-c1[nH]ncc1C
InChIInChI=1S/C12H14N2O/c1-3-15-11-7-5-4-6-10(11)12-9(2)8-13-14-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyOLSVSVQMTRAHED-UHFFFAOYSA-N
XLogP2.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid
CID 166402604
6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole
CID 45094431
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106517107
4-(2-ethoxyphenyl)pyridine
CID 23466193
5-[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 154854498
sodium 2-ethoxyphenolate
CID 23671657
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
CID 117309607
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 80502436
(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
CID 65362475

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole?
The IUPAC name of 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole (CID 70801967) is 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole is CCOc1ccccc1-c1[nH]ncc1C.
What is the InChIKey of 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole?
The InChIKey is OLSVSVQMTRAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-15-11-7-5-4-6-10(11)12-9(2)8-13-14-12/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole?
5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 70801967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).