5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole

C20H27FN2O2 — CID 158589704

IUPAC5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
SMILESCCCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1
InChIInChI=1S/C20H27FN2O2/c1-3-6-18-12-20(23(22-18)13-19-7-4-5-10-24-19)25-14-16-8-9-17(21)11-15(16)2/h8-9,11-12,19H,3-7,10,13-14H2,1-2H3
InChIKeyHUHGPALHIJXJSK-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.43
Rot. Bonds7

About 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole

5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole (PubChem CID 158589704) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole.

Molecular Properties

Compound Name5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
PubChem CID158589704
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
SMILESCCCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1
InChIInChI=1S/C20H27FN2O2/c1-3-6-18-12-20(23(22-18)13-19-7-4-5-10-24-19)25-14-16-8-9-17(21)11-15(16)2/h8-9,11-12,19H,3-7,10,13-14H2,1-2H3
InChIKeyHUHGPALHIJXJSK-UHFFFAOYSA-N
XLogP4.43
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole 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

5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
CID 162239924
1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
CID 157328171
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
5-(4-fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 42921245
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
3-[(2-methylphenyl)methyl]-1-(oxan-2-ylmethyl)-5-(2-propyl-1H-pyrrol-3-yl)-1,2,4-triazole
CID 166388211
6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole
CID 167864021
3,5-dibromo-1-(oxan-2-ylmethyl)pyrazole
CID 114692402
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole?
The IUPAC name of 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole (CID 158589704) is 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole.
What is the SMILES notation for 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole?
The canonical SMILES for 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole is CCCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCO2)n1.
What is the InChIKey of 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole?
The InChIKey is HUHGPALHIJXJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-3-6-18-12-20(23(22-18)13-19-7-4-5-10-24-19)25-14-16-8-9-17(21)11-15(16)2/h8-9,11-12,19H,3-7,10,13-14H2,1-2H3.
What are the key properties of 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole?
5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole has a molecular weight of 346.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole is sourced from PubChem (CID 158589704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).