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

C8H11BrF2N2O — CID 167040555

IUPAC[4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol
SMILESCC(c1nn(C)c(CO)c1Br)C(F)F
InChIInChI=1S/C8H11BrF2N2O/c1-4(8(10)11)7-6(9)5(3-14)13(2)12-7/h4,8,14H,3H2,1-2H3
InChIKeyGDUUUCPUUQOLAY-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.04
Rot. Bonds3

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

[4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol (PubChem CID 167040555) has the molecular formula C8H11BrF2N2O and a molecular weight of 269.09 g/mol. Its IUPAC name is [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol
PubChem CID167040555
Molecular FormulaC8H11BrF2N2O
Molecular Weight269.09 g/mol
Exact Mass268.00
IUPAC Name[4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol
SMILESCC(c1nn(C)c(CO)c1Br)C(F)F
InChIInChI=1S/C8H11BrF2N2O/c1-4(8(10)11)7-6(9)5(3-14)13(2)12-7/h4,8,14H,3H2,1-2H3
InChIKeyGDUUUCPUUQOLAY-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol?
The IUPAC name of [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol (CID 167040555) is [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol?
The canonical SMILES for [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol is CC(c1nn(C)c(CO)c1Br)C(F)F.
What is the InChIKey of [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol?
The InChIKey is GDUUUCPUUQOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrF2N2O/c1-4(8(10)11)7-6(9)5(3-14)13(2)12-7/h4,8,14H,3H2,1-2H3.
What are the key properties of [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol?
[4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol has a molecular weight of 269.09 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(1,1-difluoropropan-2-yl)-2-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 167040555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).