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

C11H11FN2O — CID 1482912

IUPAC5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2C)cc1F
InChIInChI=1S/C11H11FN2O/c1-7-6-13-14-11(7)8-3-4-10(15-2)9(12)5-8/h3-6H,1-2H3,(H,13,14)
InChIKeyKPUCKYWPTNWIMH-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.53
Rot. Bonds2

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

5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole (PubChem CID 1482912) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
PubChem CID1482912
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2C)cc1F
InChIInChI=1S/C11H11FN2O/c1-7-6-13-14-11(7)8-3-4-10(15-2)9(12)5-8/h3-6H,1-2H3,(H,13,14)
InChIKeyKPUCKYWPTNWIMH-UHFFFAOYSA-N
XLogP2.53
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-fluoro-4-methoxyphenyl)-4-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 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole (CID 1482912) is 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole is COc1ccc(-c2[nH]ncc2C)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole?
The InChIKey is KPUCKYWPTNWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-6-13-14-11(7)8-3-4-10(15-2)9(12)5-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole?
5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole has a molecular weight of 206.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 1482912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).