[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

C14H14ClF3N2O — CID 81254769

IUPAC[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1CO
InChIInChI=1S/C14H14ClF3N2O/c1-8(2)12-11(7-21)13(15)20(19-12)10-5-3-9(4-6-10)14(16,17)18/h3-6,8,21H,7H2,1-2H3
InChIKeyRDPWBFASPXFKHK-UHFFFAOYSA-N
MW318.73 g/mol
LogP4.16
Rot. Bonds3

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

[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 81254769) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID81254769
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC Name[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1CO
InChIInChI=1S/C14H14ClF3N2O/c1-8(2)12-11(7-21)13(15)20(19-12)10-5-3-9(4-6-10)14(16,17)18/h3-6,8,21H,7H2,1-2H3
InChIKeyRDPWBFASPXFKHK-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333647
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
[5-chloro-1-(2-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333643
[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 58733868
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81255305
3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
5-chloro-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 63788601
[5-chloro-1-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 43333653
1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 110887880
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
4-(hydroxymethyl)-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 117124060

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 81254769) is [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is RDPWBFASPXFKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c1-8(2)12-11(7-21)13(15)20(19-12)10-5-3-9(4-6-10)14(16,17)18/h3-6,8,21H,7H2,1-2H3.
What are the key properties of [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 318.73 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 81254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).