(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol

C13H18BrF3N2O — CID 105127614

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1ncc(Br)c1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18BrF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-5-3-4-6-9(8)13(15,16)17/h7-9,12,20H,2-6H2,1H3
InChIKeyOGQOIDVNBOFOJA-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.07
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol

(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105127614) has the molecular formula C13H18BrF3N2O and a molecular weight of 355.20 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105127614
Molecular FormulaC13H18BrF3N2O
Molecular Weight355.20 g/mol
Exact Mass354.06
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCCn1ncc(Br)c1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18BrF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-5-3-4-6-9(8)13(15,16)17/h7-9,12,20H,2-6H2,1H3
InChIKeyOGQOIDVNBOFOJA-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105127614) is (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is CCn1ncc(Br)c1C(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is OGQOIDVNBOFOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3N2O/c1-2-19-11(10(14)7-18-19)12(20)8-5-3-4-6-9(8)13(15,16)17/h7-9,12,20H,2-6H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 355.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105127614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).