3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

C11H8ClF3N2O — CID 91872242

IUPAC3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H8ClF3N2O/c1-18-9-3-2-6(12)4-7(9)8-5-10(17-16-8)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeySXGBWJSHEZMRRG-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.76
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole

3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 91872242) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID91872242
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H8ClF3N2O/c1-18-9-3-2-6(12)4-7(9)8-5-10(17-16-8)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeySXGBWJSHEZMRRG-UHFFFAOYSA-N
XLogP3.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781244
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
3-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 2764201
4-chloro-2-(5-(2-methoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 662360
2-[3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-4-methoxyphenol
CID 155529438
4-chloro-2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 685418
4-Chloro-2-[5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 690714
4-[6-(4-chlorophenoxy)hexyl]-3,5-diethyl-1H-pyrazole
CID 6482624
4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 46888031
3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 46888074
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888076

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CID 91872242) is 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is COc1ccc(Cl)cc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is SXGBWJSHEZMRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c1-18-9-3-2-6(12)4-7(9)8-5-10(17-16-8)11(13,14)15/h2-5H,1H3,(H,16,17).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 276.65 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 91872242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).