1-(2,3-dimethoxyphenyl)pyrazole

C11H12N2O2 — CID 90873377

IUPAC1-(2,3-dimethoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cccn2)c1OC
InChIInChI=1S/C11H12N2O2/c1-14-10-6-3-5-9(11(10)15-2)13-8-4-7-12-13/h3-8H,1-2H3
InChIKeySNMRFEJXUVQIKH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.89
Rot. Bonds3

About 1-(2,3-dimethoxyphenyl)pyrazole

1-(2,3-dimethoxyphenyl)pyrazole (PubChem CID 90873377) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)pyrazole
PubChem CID90873377
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(2,3-dimethoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cccn2)c1OC
InChIInChI=1S/C11H12N2O2/c1-14-10-6-3-5-9(11(10)15-2)13-8-4-7-12-13/h3-8H,1-2H3
InChIKeySNMRFEJXUVQIKH-UHFFFAOYSA-N
XLogP1.89
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-3-pyrazol-1-ylaniline
CID 123545407
1-(2-methoxy-3-nitrophenyl)pyrazole
CID 90135701
benzyl 2-methoxy-3-pyrazol-1-ylbenzoate
CID 138713680
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-(2-propoxyphenyl)pyrazole
CID 91373275
N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine
CID 167863696
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
1-methoxy-4-(2-pyrazol-1-ylphenyl)phthalazine
CID 146152396
1-(7-methoxydibenzofuran-4-yl)pyrazole
CID 59859015
2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
1-(4,5-dimethoxy-2-nitrophenyl)pyrazole
CID 83008145
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)pyrazole?
The IUPAC name of 1-(2,3-dimethoxyphenyl)pyrazole (CID 90873377) is 1-(2,3-dimethoxyphenyl)pyrazole.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)pyrazole?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)pyrazole is COc1cccc(-n2cccn2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)pyrazole?
The InChIKey is SNMRFEJXUVQIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-14-10-6-3-5-9(11(10)15-2)13-8-4-7-12-13/h3-8H,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)pyrazole?
1-(2,3-dimethoxyphenyl)pyrazole has a molecular weight of 204.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)pyrazole is sourced from PubChem (CID 90873377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).