1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole

C10H6ClF3N2 — CID 159868733

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2cccn2)c1
InChIInChI=1S/C10H6ClF3N2/c11-8-3-2-7(10(12,13)14)6-9(8)16-5-1-4-15-16/h1-6H
InChIKeyNSBGQHUHFJNWTF-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.54
Rot. Bonds1

About 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole

1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole (PubChem CID 159868733) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
PubChem CID159868733
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2cccn2)c1
InChIInChI=1S/C10H6ClF3N2/c11-8-3-2-7(10(12,13)14)6-9(8)16-5-1-4-15-16/h1-6H
InChIKeyNSBGQHUHFJNWTF-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,5-bis(trifluoromethyl)phenyl]pyrazole
CID 91450288
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
CID 126668779
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
CID 101073728
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenylpyrazole
CID 101073721
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
4-(4-chloro-3-pyrazol-1-ylphenoxy)piperidine;2,2,2-trifluoroacetic acid
CID 155142012

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole (CID 159868733) is 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccc(Cl)c(-n2cccn2)c1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is NSBGQHUHFJNWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-8-3-2-7(10(12,13)14)6-9(8)16-5-1-4-15-16/h1-6H.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole?
1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 246.62 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 159868733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).