1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole

C14H17FN2O — CID 170354793

IUPAC1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole
SMILESCc1nn(CCCF)cc1OCc1ccccc1
InChIInChI=1S/C14H17FN2O/c1-12-14(10-17(16-12)9-5-8-15)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeySGBZBKMYYLCUMZ-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.13
Rot. Bonds6

About 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole

1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole (PubChem CID 170354793) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole
PubChem CID170354793
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole
SMILESCc1nn(CCCF)cc1OCc1ccccc1
InChIInChI=1S/C14H17FN2O/c1-12-14(10-17(16-12)9-5-8-15)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeySGBZBKMYYLCUMZ-UHFFFAOYSA-N
XLogP3.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole 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 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole?
The IUPAC name of 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole (CID 170354793) is 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole?
The canonical SMILES for 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole is Cc1nn(CCCF)cc1OCc1ccccc1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole?
The InChIKey is SGBZBKMYYLCUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-12-14(10-17(16-12)9-5-8-15)18-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole?
1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole has a molecular weight of 248.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methyl-4-phenylmethoxypyrazole is sourced from PubChem (CID 170354793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).