4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole

C17H14F2N2O2 — CID 70819487

IUPAC4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole
SMILESFC(F)Oc1cnn(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C17H14F2N2O2/c18-17(19)23-16-10-20-21(11-16)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11,17H,12H2
InChIKeyBLGWFGKLXPVVIW-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.05
Rot. Bonds6

About 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole

4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole (PubChem CID 70819487) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole
PubChem CID70819487
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole
SMILESFC(F)Oc1cnn(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C17H14F2N2O2/c18-17(19)23-16-10-20-21(11-16)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11,17H,12H2
InChIKeyBLGWFGKLXPVVIW-UHFFFAOYSA-N
XLogP4.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxy-2-butanamine
CID 16189801
2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]ethanol
CID 16192378
2-ethyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 70728001
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}tetrahydro-2H-pyran-4-amine
CID 16187267
1-[[3-(3-Fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidine
CID 16190136
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine
CID 16190912
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16192017
1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 70752733
(2R*,6S*)-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2,6-dimethylmorpholine
CID 70765080
3-ethyl-4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}morpholine
CID 70774445

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole?
The IUPAC name of 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole (CID 70819487) is 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole.
What is the SMILES notation for 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole?
The canonical SMILES for 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole is FC(F)Oc1cnn(-c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole?
The InChIKey is BLGWFGKLXPVVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-17(19)23-16-10-20-21(11-16)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-11,17H,12H2.
What are the key properties of 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole?
4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole has a molecular weight of 316.31 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-(4-phenylmethoxyphenyl)pyrazole is sourced from PubChem (CID 70819487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).