(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol

C12H16ClF3N2O — CID 105129742

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCn1ncc(Cl)c1C(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16ClF3N2O/c1-18-10(9(13)6-17-18)11(19)7-3-2-4-8(5-7)12(14,15)16/h6-8,11,19H,2-5H2,1H3
InChIKeyAHKMADBYERKZEY-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.48
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol

(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105129742) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105129742
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCn1ncc(Cl)c1C(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16ClF3N2O/c1-18-10(9(13)6-17-18)11(19)7-3-2-4-8(5-7)12(14,15)16/h6-8,11,19H,2-5H2,1H3
InChIKeyAHKMADBYERKZEY-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064
(4-chloro-1-methylpyrazol-5-yl)-(2-methylcyclopentyl)methanol
CID 107192965
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105082718
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
CID 112742811
(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
CID 114645048
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
(4-chloro-1-methylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115836740
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636111

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105129742) is (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is Cn1ncc(Cl)c1C(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is AHKMADBYERKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-18-10(9(13)6-17-18)11(19)7-3-2-4-8(5-7)12(14,15)16/h6-8,11,19H,2-5H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 296.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105129742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).