1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C11H14ClF3N2O — CID 114636111

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14ClF3N2O/c1-17-9(8(12)6-16-17)10(18)4-2-3-7(5-10)11(13,14)15/h6-7,18H,2-5H2,1H3
InChIKeyMDJZYKYQVZXOQM-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.01
Rot. Bonds1

About 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114636111) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114636111
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14ClF3N2O/c1-17-9(8(12)6-16-17)10(18)4-2-3-7(5-10)11(13,14)15/h6-7,18H,2-5H2,1H3
InChIKeyMDJZYKYQVZXOQM-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
CID 114636259
1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114633841
4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635799
1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757033
1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757432
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
4-chloro-5-(3-chloro-1-methylcyclopentyl)-1-methylpyrazole
CID 114665719
4-(4-chloro-1-methylpyrazol-5-yl)-4-fluorocyclohexan-1-amine
CID 114667623
1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
CID 114633240
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylthian-3-ol
CID 114636867
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 114636111) is 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol is Cn1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MDJZYKYQVZXOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-17-9(8(12)6-16-17)10(18)4-2-3-7(5-10)11(13,14)15/h6-7,18H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 282.69 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114636111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).