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

C14H14ClF3N2O — CID 114635032

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14ClF3N2O/c1-8(2)20-12(11(15)7-19-20)13(21)9-4-3-5-10(6-9)14(16,17)18/h3-8,13,21H,1-2H3
InChIKeyRRJBISCDLKTTKL-UHFFFAOYSA-N
MW318.73 g/mol
LogP4.22
Rot. Bonds3

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 114635032) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID114635032
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14ClF3N2O/c1-8(2)20-12(11(15)7-19-20)13(21)9-4-3-5-10(6-9)14(16,17)18/h3-8,13,21H,1-2H3
InChIKeyRRJBISCDLKTTKL-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
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(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637563
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 114635032) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol is CC(C)n1ncc(Cl)c1C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is RRJBISCDLKTTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c1-8(2)20-12(11(15)7-19-20)13(21)9-4-3-5-10(6-9)14(16,17)18/h3-8,13,21H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 318.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 114635032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).