3-(4-methoxyphenyl)-5-methyl-1H-pyrazole

C11H12N2O — CID 2764201

IUPAC3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
SMILESCOc1ccc(-c2cc(C)[nH]n2)cc1
InChIInChI=1S/C11H12N2O/c1-8-7-11(13-12-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)
InChIKeyHTQPUPKIHDBCEP-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.39
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole

3-(4-methoxyphenyl)-5-methyl-1H-pyrazole (PubChem CID 2764201) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
PubChem CID2764201
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
SMILESCOc1ccc(-c2cc(C)[nH]n2)cc1
InChIInChI=1S/C11H12N2O/c1-8-7-11(13-12-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)
InChIKeyHTQPUPKIHDBCEP-UHFFFAOYSA-N
XLogP2.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole (CID 2764201) is 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole is COc1ccc(-c2cc(C)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole?
The InChIKey is HTQPUPKIHDBCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-11(13-12-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole?
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole has a molecular weight of 188.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 2764201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).