3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol

C11H18BrN3O — CID 66007024

IUPAC3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1nn(C)c(CNCC2CC(O)C2)c1Br
InChIInChI=1S/C11H18BrN3O/c1-7-11(12)10(15(2)14-7)6-13-5-8-3-9(16)4-8/h8-9,13,16H,3-6H2,1-2H3
InChIKeyJHDRUXDJVLIOTH-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.35
Rot. Bonds4

About 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol

3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 66007024) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID66007024
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1nn(C)c(CNCC2CC(O)C2)c1Br
InChIInChI=1S/C11H18BrN3O/c1-7-11(12)10(15(2)14-7)6-13-5-8-3-9(16)4-8/h8-9,13,16H,3-6H2,1-2H3
InChIKeyJHDRUXDJVLIOTH-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol (CID 66007024) is 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol is Cc1nn(C)c(CNCC2CC(O)C2)c1Br.
What is the InChIKey of 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is JHDRUXDJVLIOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-7-11(12)10(15(2)14-7)6-13-5-8-3-9(16)4-8/h8-9,13,16H,3-6H2,1-2H3.
What are the key properties of 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol?
3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).