4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole

C12H13FN2O — CID 21018219

IUPAC4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
SMILESCOc1ccc(Cc2cn[nH]c2C)cc1F
InChIInChI=1S/C12H13FN2O/c1-8-10(7-14-15-8)5-9-3-4-12(16-2)11(13)6-9/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyWULRGKGBOQEYAS-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.46
Rot. Bonds3

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

4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole (PubChem CID 21018219) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
PubChem CID21018219
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
SMILESCOc1ccc(Cc2cn[nH]c2C)cc1F
InChIInChI=1S/C12H13FN2O/c1-8-10(7-14-15-8)5-9-3-4-12(16-2)11(13)6-9/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyWULRGKGBOQEYAS-UHFFFAOYSA-N
XLogP2.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole (CID 21018219) is 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole is COc1ccc(Cc2cn[nH]c2C)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
The InChIKey is WULRGKGBOQEYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-10(7-14-15-8)5-9-3-4-12(16-2)11(13)6-9/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole has a molecular weight of 220.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 21018219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).