[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol

C13H16BrN3O2 — CID 79800276

IUPAC[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
SMILESCCc1nn(C)c(COc2ccc(CO)nc2)c1Br
InChIInChI=1S/C13H16BrN3O2/c1-3-11-13(14)12(17(2)16-11)8-19-10-5-4-9(7-18)15-6-10/h4-6,18H,3,7-8H2,1-2H3
InChIKeyZIZTZNDOLWZACR-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.21
Rot. Bonds5

About [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol

[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol (PubChem CID 79800276) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
PubChem CID79800276
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
SMILESCCc1nn(C)c(COc2ccc(CO)nc2)c1Br
InChIInChI=1S/C13H16BrN3O2/c1-3-11-13(14)12(17(2)16-11)8-19-10-5-4-9(7-18)15-6-10/h4-6,18H,3,7-8H2,1-2H3
InChIKeyZIZTZNDOLWZACR-UHFFFAOYSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3-ethyl-1-methylpyrazole
CID 79406350
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794426
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 115955859
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025841
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
CID 79800388
[5-[(1-ethylimidazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79799356
[5-[(1-ethylpyrazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799636
[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol
CID 79793730

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol (CID 79800276) is [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol is CCc1nn(C)c(COc2ccc(CO)nc2)c1Br.
What is the InChIKey of [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol?
The InChIKey is ZIZTZNDOLWZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-3-11-13(14)12(17(2)16-11)8-19-10-5-4-9(7-18)15-6-10/h4-6,18H,3,7-8H2,1-2H3.
What are the key properties of [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol?
[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol has a molecular weight of 326.19 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 79800276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).