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

C14H20ClF3N2O — CID 105128195

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCC(C)n1ncc(Cl)c1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20ClF3N2O/c1-8(2)20-12(11(15)7-19-20)13(21)9-5-3-4-6-10(9)14(16,17)18/h7-10,13,21H,3-6H2,1-2H3
InChIKeyLCUCJCSYLFCZJP-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.52
Rot. Bonds3

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105128195) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105128195
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCC(C)n1ncc(Cl)c1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20ClF3N2O/c1-8(2)20-12(11(15)7-19-20)13(21)9-5-3-4-6-10(9)14(16,17)18/h7-10,13,21H,3-6H2,1-2H3
InChIKeyLCUCJCSYLFCZJP-UHFFFAOYSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105128195) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is CC(C)n1ncc(Cl)c1C(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is LCUCJCSYLFCZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2O/c1-8(2)20-12(11(15)7-19-20)13(21)9-5-3-4-6-10(9)14(16,17)18/h7-10,13,21H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 324.77 g/mol, XLogP of 4.52, 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)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105128195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).