ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole

C14H16F4N2O — CID 156641321

IUPACethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCC.COc1ccc(-n2ccc(C(F)(F)F)n2)c(C)c1F
InChIInChI=1S/C12H10F4N2O.C2H6/c1-7-8(3-4-9(19-2)11(7)13)18-6-5-10(17-18)12(14,15)16;1-2/h3-6H,1-2H3;1-2H3
InChIKeyRFARWWBUQIJCEU-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.37
Rot. Bonds2

About ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole

ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 156641321) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID156641321
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Nameethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCC.COc1ccc(-n2ccc(C(F)(F)F)n2)c(C)c1F
InChIInChI=1S/C12H10F4N2O.C2H6/c1-7-8(3-4-9(19-2)11(7)13)18-6-5-10(17-18)12(14,15)16;1-2/h3-6H,1-2H3;1-2H3
InChIKeyRFARWWBUQIJCEU-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
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
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}-4-methyl-1,4-diazepane
CID 70735039
4-fluoro-1-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}piperidine
CID 70775732
4-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1,2-dimethylpiperazine
CID 70779659

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole (CID 156641321) is ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole is CC.COc1ccc(-n2ccc(C(F)(F)F)n2)c(C)c1F.
What is the InChIKey of ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is RFARWWBUQIJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O.C2H6/c1-7-8(3-4-9(19-2)11(7)13)18-6-5-10(17-18)12(14,15)16;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole?
ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 304.29 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluoro-4-methoxy-2-methylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 156641321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).