5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole

C16H10ClF3N2O — CID 66880692

IUPAC5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole
SMILESCOc1ccc(-c2n[nH]c(Cl)c2-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C16H10ClF3N2O/c1-23-10-4-2-8(3-5-10)15-14(16(17)22-21-15)13-11(19)6-9(18)7-12(13)20/h2-7H,1H3,(H,21,22)
InChIKeyXTPRBYUMTISBJT-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.82
Rot. Bonds3

About 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole

5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole (PubChem CID 66880692) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole
PubChem CID66880692
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole
SMILESCOc1ccc(-c2n[nH]c(Cl)c2-c2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C16H10ClF3N2O/c1-23-10-4-2-8(3-5-10)15-14(16(17)22-21-15)13-11(19)6-9(18)7-12(13)20/h2-7H,1H3,(H,21,22)
InChIKeyXTPRBYUMTISBJT-UHFFFAOYSA-N
XLogP4.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole?
The IUPAC name of 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole (CID 66880692) is 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole is COc1ccc(-c2n[nH]c(Cl)c2-c2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole?
The InChIKey is XTPRBYUMTISBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c1-23-10-4-2-8(3-5-10)15-14(16(17)22-21-15)13-11(19)6-9(18)7-12(13)20/h2-7H,1H3,(H,21,22).
What are the key properties of 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole?
5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole has a molecular weight of 338.72 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)-1H-pyrazole is sourced from PubChem (CID 66880692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).