3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole

C24H22F6N2O2 — CID 134372529

IUPAC3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1-n1cc(-c2ccc(OC(F)(F)F)cc2)c(C2CCC2)n1
InChIInChI=1S/C24H22F6N2O2/c1-14(2)33-21-11-8-17(23(25,26)27)12-20(21)32-13-19(22(31-32)16-4-3-5-16)15-6-9-18(10-7-15)34-24(28,29)30/h6-14,16H,3-5H2,1-2H3
InChIKeyDAHDDPWTXWIZRQ-UHFFFAOYSA-N
MW484.44 g/mol
LogP7.51
Rot. Bonds6

About 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole

3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 134372529) has the molecular formula C24H22F6N2O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID134372529
Molecular FormulaC24H22F6N2O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC Name3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1-n1cc(-c2ccc(OC(F)(F)F)cc2)c(C2CCC2)n1
InChIInChI=1S/C24H22F6N2O2/c1-14(2)33-21-11-8-17(23(25,26)27)12-20(21)32-13-19(22(31-32)16-4-3-5-16)15-6-9-18(10-7-15)34-24(28,29)30/h6-14,16H,3-5H2,1-2H3
InChIKeyDAHDDPWTXWIZRQ-UHFFFAOYSA-N
XLogP7.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 53466378
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 53466526
5-[1-(2-Methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]-2-methylpyridine
CID 73293612
2-ethyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 70728001
{3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methanol
CID 752100
N-(2-methoxyethyl)-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-propanamine
CID 23724051
N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 45228187
(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
3-(2-fluoro-4-methoxyphenyl)-4-{[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]methyl}-1-phenyl-1H-pyrazole
CID 70786991
Ethanamine, N,N-dimethyl-2-((4-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)oxy)-, monohydrochloride
CID 3046919

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole (CID 134372529) is 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole is CC(C)Oc1ccc(C(F)(F)F)cc1-n1cc(-c2ccc(OC(F)(F)F)cc2)c(C2CCC2)n1.
What is the InChIKey of 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is DAHDDPWTXWIZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N2O2/c1-14(2)33-21-11-8-17(23(25,26)27)12-20(21)32-13-19(22(31-32)16-4-3-5-16)15-6-9-18(10-7-15)34-24(28,29)30/h6-14,16H,3-5H2,1-2H3.
What are the key properties of 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole?
3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 484.44 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 134372529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).