[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol

C12H8Cl2F4N2O — CID 19436752

IUPAC[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol
SMILESCn1nc(-c2cc(CO)c(Cl)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C12H8Cl2F4N2O/c1-20-11(12(16,17)18)9(14)10(19-20)6-2-5(4-21)7(13)3-8(6)15/h2-3,21H,4H2,1H3
InChIKeyHWEDGYWSJSIGBM-UHFFFAOYSA-N
MW343.11 g/mol
LogP4.04
Rot. Bonds2

About [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol

[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol (PubChem CID 19436752) has the molecular formula C12H8Cl2F4N2O and a molecular weight of 343.11 g/mol. Its IUPAC name is [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol
PubChem CID19436752
Molecular FormulaC12H8Cl2F4N2O
Molecular Weight343.11 g/mol
Exact Mass341.99
IUPAC Name[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol
SMILESCn1nc(-c2cc(CO)c(Cl)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C12H8Cl2F4N2O/c1-20-11(12(16,17)18)9(14)10(19-20)6-2-5(4-21)7(13)3-8(6)15/h2-3,21H,4H2,1H3
InChIKeyHWEDGYWSJSIGBM-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol?
The IUPAC name of [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol (CID 19436752) is [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol.
What is the SMILES notation for [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol?
The canonical SMILES for [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol is Cn1nc(-c2cc(CO)c(Cl)cc2F)c(Cl)c1C(F)(F)F.
What is the InChIKey of [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol?
The InChIKey is HWEDGYWSJSIGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F4N2O/c1-20-11(12(16,17)18)9(14)10(19-20)6-2-5(4-21)7(13)3-8(6)15/h2-3,21H,4H2,1H3.
What are the key properties of [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol?
[2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol has a molecular weight of 343.11 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluorophenyl]methanol is sourced from PubChem (CID 19436752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).