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

C14H20BrF3N2O — CID 105128015

IUPAC(4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1ncc(Br)c1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20BrF3N2O/c1-2-7-20-12(11(15)8-19-20)13(21)9-5-3-4-6-10(9)14(16,17)18/h8-10,13,21H,2-7H2,1H3
InChIKeyTUYYHCKXBLDSDQ-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.46
Rot. Bonds4

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

(4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105128015) has the molecular formula C14H20BrF3N2O and a molecular weight of 369.23 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105128015
Molecular FormulaC14H20BrF3N2O
Molecular Weight369.23 g/mol
Exact Mass368.07
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1ncc(Br)c1C(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H20BrF3N2O/c1-2-7-20-12(11(15)8-19-20)13(21)9-5-3-4-6-10(9)14(16,17)18/h8-10,13,21H,2-7H2,1H3
InChIKeyTUYYHCKXBLDSDQ-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105128015) is (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is CCCn1ncc(Br)c1C(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is TUYYHCKXBLDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF3N2O/c1-2-7-20-12(11(15)8-19-20)13(21)9-5-3-4-6-10(9)14(16,17)18/h8-10,13,21H,2-7H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 369.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105128015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).