1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol

C19H19BrFN3O — CID 164719158

IUPAC1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol
SMILESCCn1ncc(Cc2cnccc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C19H19BrFN3O/c1-3-24-19(20)14(11-23-24)8-13-10-22-7-6-16(13)17-5-4-15(21)9-18(17)12(2)25/h4-7,9-12,25H,3,8H2,1-2H3
InChIKeyFWINTTBKOINFBJ-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol

1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol (PubChem CID 164719158) has the molecular formula C19H19BrFN3O and a molecular weight of 404.28 g/mol. Its IUPAC name is 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol
PubChem CID164719158
Molecular FormulaC19H19BrFN3O
Molecular Weight404.28 g/mol
Exact Mass403.07
IUPAC Name1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol
SMILESCCn1ncc(Cc2cnccc2-c2ccc(F)cc2C(C)O)c1Br
InChIInChI=1S/C19H19BrFN3O/c1-3-24-19(20)14(11-23-24)8-13-10-22-7-6-16(13)17-5-4-15(21)9-18(17)12(2)25/h4-7,9-12,25H,3,8H2,1-2H3
InChIKeyFWINTTBKOINFBJ-UHFFFAOYSA-N
XLogP4.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol (CID 164719158) is 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol is CCn1ncc(Cc2cnccc2-c2ccc(F)cc2C(C)O)c1Br.
What is the InChIKey of 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol?
The InChIKey is FWINTTBKOINFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O/c1-3-24-19(20)14(11-23-24)8-13-10-22-7-6-16(13)17-5-4-15(21)9-18(17)12(2)25/h4-7,9-12,25H,3,8H2,1-2H3.
What are the key properties of 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol?
1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol has a molecular weight of 404.28 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).