(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol

C13H14BrFN2O — CID 114885789

IUPAC(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1c(F)cccc1Br
InChIInChI=1S/C13H14BrFN2O/c1-2-8-17-11(6-7-16-17)13(18)12-9(14)4-3-5-10(12)15/h3-7,13,18H,2,8H2,1H3
InChIKeyMLRDJVPOHOQMGG-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.28
Rot. Bonds4

About (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol

(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 114885789) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID114885789
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1c(F)cccc1Br
InChIInChI=1S/C13H14BrFN2O/c1-2-8-17-11(6-7-16-17)13(18)12-9(14)4-3-5-10(12)15/h3-7,13,18H,2,8H2,1H3
InChIKeyMLRDJVPOHOQMGG-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol (CID 114885789) is (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is MLRDJVPOHOQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-2-8-17-11(6-7-16-17)13(18)12-9(14)4-3-5-10(12)15/h3-7,13,18H,2,8H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol?
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 313.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 114885789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).