2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol

C8H10BrF3N2O — CID 71055469

IUPAC2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)c(Br)c1C(C)(C)O
InChIInChI=1S/C8H10BrF3N2O/c1-7(2,15)6-4(9)5(8(10,11)12)13-14(6)3/h15H,1-3H3
InChIKeyXZPRWHNHHZUIII-UHFFFAOYSA-N
MW287.08 g/mol
LogP2.43
Rot. Bonds1

About 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol

2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (PubChem CID 71055469) has the molecular formula C8H10BrF3N2O and a molecular weight of 287.08 g/mol. Its IUPAC name is 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
PubChem CID71055469
Molecular FormulaC8H10BrF3N2O
Molecular Weight287.08 g/mol
Exact Mass285.99
IUPAC Name2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
SMILESCn1nc(C(F)(F)F)c(Br)c1C(C)(C)O
InChIInChI=1S/C8H10BrF3N2O/c1-7(2,15)6-4(9)5(8(10,11)12)13-14(6)3/h15H,1-3H3
InChIKeyXZPRWHNHHZUIII-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol (CID 71055469) is 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is Cn1nc(C(F)(F)F)c(Br)c1C(C)(C)O.
What is the InChIKey of 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
The InChIKey is XZPRWHNHHZUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2O/c1-7(2,15)6-4(9)5(8(10,11)12)13-14(6)3/h15H,1-3H3.
What are the key properties of 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol?
2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol has a molecular weight of 287.08 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 71055469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).