(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol

C11H13BrF2N4O — CID 164719187

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1cc(C(O)c2cc(CC(F)F)nn2C)c(Br)n1
InChIInChI=1S/C11H13BrF2N4O/c1-17-5-7(11(12)16-17)10(19)8-3-6(4-9(13)14)15-18(8)2/h3,5,9-10,19H,4H2,1-2H3
InChIKeyOVTNPRQTXJEVSH-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.81
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol

(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol (PubChem CID 164719187) has the molecular formula C11H13BrF2N4O and a molecular weight of 335.15 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol
PubChem CID164719187
Molecular FormulaC11H13BrF2N4O
Molecular Weight335.15 g/mol
Exact Mass334.02
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1cc(C(O)c2cc(CC(F)F)nn2C)c(Br)n1
InChIInChI=1S/C11H13BrF2N4O/c1-17-5-7(11(12)16-17)10(19)8-3-6(4-9(13)14)15-18(8)2/h3,5,9-10,19H,4H2,1-2H3
InChIKeyOVTNPRQTXJEVSH-UHFFFAOYSA-N
XLogP1.81
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol (CID 164719187) is (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol is Cn1cc(C(O)c2cc(CC(F)F)nn2C)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol?
The InChIKey is OVTNPRQTXJEVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N4O/c1-17-5-7(11(12)16-17)10(19)8-3-6(4-9(13)14)15-18(8)2/h3,5,9-10,19H,4H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol has a molecular weight of 335.15 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 164719187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).