3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine

C16H10ClF4N3O — CID 15956838

IUPAC3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2ccn(-c3ncc(C(F)(F)F)cc3Cl)n2)c(F)c1
InChIInChI=1S/C16H10ClF4N3O/c1-25-10-2-3-11(13(18)7-10)14-4-5-24(23-14)15-12(17)6-9(8-22-15)16(19,20)21/h2-8H,1H3
InChIKeyKFKYXCFFEHGBDF-UHFFFAOYSA-N
MW371.72 g/mol
LogP4.75
Rot. Bonds3

About 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 15956838) has the molecular formula C16H10ClF4N3O and a molecular weight of 371.72 g/mol. Its IUPAC name is 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID15956838
Molecular FormulaC16H10ClF4N3O
Molecular Weight371.72 g/mol
Exact Mass371.04
IUPAC Name3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2ccn(-c3ncc(C(F)(F)F)cc3Cl)n2)c(F)c1
InChIInChI=1S/C16H10ClF4N3O/c1-25-10-2-3-11(13(18)7-10)14-4-5-24(23-14)15-12(17)6-9(8-22-15)16(19,20)21/h2-8H,1H3
InChIKeyKFKYXCFFEHGBDF-UHFFFAOYSA-N
XLogP4.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.72
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
1-[2-(4-Chloropyrazolyl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methoxybenzene
CID 3331216
2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10111401
2-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10112427
2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10135415
2-[5-(3-Chloro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10137637
2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158760
2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158761
5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
CID 18624120
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyrazol-1-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 44569604

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine (CID 15956838) is 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine is COc1ccc(-c2ccn(-c3ncc(C(F)(F)F)cc3Cl)n2)c(F)c1.
What is the InChIKey of 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is KFKYXCFFEHGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3O/c1-25-10-2-3-11(13(18)7-10)14-4-5-24(23-14)15-12(17)6-9(8-22-15)16(19,20)21/h2-8H,1H3.
What are the key properties of 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 371.72 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 15956838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).