5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole

C12H14N2O — CID 116869027

IUPAC5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
SMILESCOc1cc(C)c(-c2ccn[nH]2)cc1C
InChIInChI=1S/C12H14N2O/c1-8-7-12(15-3)9(2)6-10(8)11-4-5-13-14-11/h4-7H,1-3H3,(H,13,14)
InChIKeyGVVRXLDPUIOWIJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.70
Rot. Bonds2

About 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole

5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole (PubChem CID 116869027) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
PubChem CID116869027
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
SMILESCOc1cc(C)c(-c2ccn[nH]2)cc1C
InChIInChI=1S/C12H14N2O/c1-8-7-12(15-3)9(2)6-10(8)11-4-5-13-14-11/h4-7H,1-3H3,(H,13,14)
InChIKeyGVVRXLDPUIOWIJ-UHFFFAOYSA-N
XLogP2.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide
CID 178150209
5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
CID 116869044
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
5-(5-fluoro-2-methylphenyl)-1H-pyrazole
CID 89211129
5-(5-bromo-2-methylphenyl)-1H-pyrazole
CID 116869080
5-(4-methoxy-2,5-dimethylphenyl)-1,2-oxazole
CID 116868805
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole
CID 58432118
2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 39818032
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
5-(3,4-dimethylphenyl)-1H-pyrazole
CID 61395014
5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole (CID 116869027) is 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole is COc1cc(C)c(-c2ccn[nH]2)cc1C.
What is the InChIKey of 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole?
The InChIKey is GVVRXLDPUIOWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-7-12(15-3)9(2)6-10(8)11-4-5-13-14-11/h4-7H,1-3H3,(H,13,14).
What are the key properties of 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole?
5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole is sourced from PubChem (CID 116869027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).