[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

C12H9Cl2F3N2O — CID 43333653

IUPAC[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2nc(C(F)(F)F)c(CO)c2Cl)cc1Cl
InChIInChI=1S/C12H9Cl2F3N2O/c1-6-2-3-7(4-9(6)13)19-11(14)8(5-20)10(18-19)12(15,16)17/h2-4,20H,5H2,1H3
InChIKeyAKHURWRNAYGBSX-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.00
Rot. Bonds2

About [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 43333653) has the molecular formula C12H9Cl2F3N2O and a molecular weight of 325.12 g/mol. Its IUPAC name is [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID43333653
Molecular FormulaC12H9Cl2F3N2O
Molecular Weight325.12 g/mol
Exact Mass324.00
IUPAC Name[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2nc(C(F)(F)F)c(CO)c2Cl)cc1Cl
InChIInChI=1S/C12H9Cl2F3N2O/c1-6-2-3-7(4-9(6)13)19-11(14)8(5-20)10(18-19)12(15,16)17/h2-4,20H,5H2,1H3
InChIKeyAKHURWRNAYGBSX-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(chloromethyl)-1-(3-chloro-4-methylphenyl)-3-methylpyrazole
CID 43156598
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 43156610
[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 65349562
5-chloro-4-(chloromethyl)-1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114798549
5-chloro-4-(chloromethyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 63173164
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 81254769
5-chloro-1-(3-chloro-4-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 43328292
[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66440403
5-chloro-4-(chloromethyl)-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 43333748
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 43333653) is [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is Cc1ccc(-n2nc(C(F)(F)F)c(CO)c2Cl)cc1Cl.
What is the InChIKey of [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is AKHURWRNAYGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2O/c1-6-2-3-7(4-9(6)13)19-11(14)8(5-20)10(18-19)12(15,16)17/h2-4,20H,5H2,1H3.
What are the key properties of [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 325.12 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43333653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).