4-(2-methoxy-4-methylphenyl)-1H-pyrazole

C11H12N2O — CID 137381850

IUPAC4-(2-methoxy-4-methylphenyl)-1H-pyrazole
SMILESCOc1cc(C)ccc1-c1cn[nH]c1
InChIInChI=1S/C11H12N2O/c1-8-3-4-10(11(5-8)14-2)9-6-12-13-7-9/h3-7H,1-2H3,(H,12,13)
InChIKeyDQIXETBHHHZZPK-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.39
Rot. Bonds2

About 4-(2-methoxy-4-methylphenyl)-1H-pyrazole

4-(2-methoxy-4-methylphenyl)-1H-pyrazole (PubChem CID 137381850) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenyl)-1H-pyrazole
PubChem CID137381850
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(2-methoxy-4-methylphenyl)-1H-pyrazole
SMILESCOc1cc(C)ccc1-c1cn[nH]c1
InChIInChI=1S/C11H12N2O/c1-8-3-4-10(11(5-8)14-2)9-6-12-13-7-9/h3-7H,1-2H3,(H,12,13)
InChIKeyDQIXETBHHHZZPK-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 4-(2-methoxy-4-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-(2-methoxy-4-methylphenyl)-1H-pyrazole (CID 137381850) is 4-(2-methoxy-4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-methoxy-4-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(2-methoxy-4-methylphenyl)-1H-pyrazole is COc1cc(C)ccc1-c1cn[nH]c1.
What is the InChIKey of 4-(2-methoxy-4-methylphenyl)-1H-pyrazole?
The InChIKey is DQIXETBHHHZZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-3-4-10(11(5-8)14-2)9-6-12-13-7-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxy-4-methylphenyl)-1H-pyrazole?
4-(2-methoxy-4-methylphenyl)-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 4-(2-methoxy-4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 137381850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).