[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol

C13H22BrN3O — CID 66025196

IUPAC[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCCn1nc(C)c(Br)c1CC1(CO)CCNCC1
InChIInChI=1S/C13H22BrN3O/c1-3-17-11(12(14)10(2)16-17)8-13(9-18)4-6-15-7-5-13/h15,18H,3-9H2,1-2H3
InChIKeyTWIQSUAZSIXELL-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.88
Rot. Bonds4

About [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol

[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol (PubChem CID 66025196) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
PubChem CID66025196
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
SMILESCCn1nc(C)c(Br)c1CC1(CO)CCNCC1
InChIInChI=1S/C13H22BrN3O/c1-3-17-11(12(14)10(2)16-17)8-13(9-18)4-6-15-7-5-13/h15,18H,3-9H2,1-2H3
InChIKeyTWIQSUAZSIXELL-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol (CID 66025196) is [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol is CCn1nc(C)c(Br)c1CC1(CO)CCNCC1.
What is the InChIKey of [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is TWIQSUAZSIXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-3-17-11(12(14)10(2)16-17)8-13(9-18)4-6-15-7-5-13/h15,18H,3-9H2,1-2H3.
What are the key properties of [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol?
[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 316.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 66025196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).