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

C13H18ClF3N2O — CID 105127810

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1ncc(Cl)c1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18ClF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-3-5-9(6-4-8)13(15,16)17/h7-9,12,20H,2-6H2,1H3
InChIKeyWVAUZBAMIZZKPM-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.96
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105127810) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105127810
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1ncc(Cl)c1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18ClF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-3-5-9(6-4-8)13(15,16)17/h7-9,12,20H,2-6H2,1H3
InChIKeyWVAUZBAMIZZKPM-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105127810) is (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is CCn1ncc(Cl)c1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is WVAUZBAMIZZKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-3-5-9(6-4-8)13(15,16)17/h7-9,12,20H,2-6H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 310.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105127810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).