2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol

C10H18BrN3O — CID 106506256

IUPAC2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
SMILESCc1nn(C)c(CC(C)(CN)CO)c1Br
InChIInChI=1S/C10H18BrN3O/c1-7-9(11)8(14(3)13-7)4-10(2,5-12)6-15/h15H,4-6,12H2,1-3H3
InChIKeyQSVXQIVOCZBYTA-UHFFFAOYSA-N
MW276.18 g/mol
LogP0.99
Rot. Bonds4

About 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol

2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol (PubChem CID 106506256) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
PubChem CID106506256
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
SMILESCc1nn(C)c(CC(C)(CN)CO)c1Br
InChIInChI=1S/C10H18BrN3O/c1-7-9(11)8(14(3)13-7)4-10(2,5-12)6-15/h15H,4-6,12H2,1-3H3
InChIKeyQSVXQIVOCZBYTA-UHFFFAOYSA-N
XLogP0.99
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol (CID 106506256) is 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol is Cc1nn(C)c(CC(C)(CN)CO)c1Br.
What is the InChIKey of 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is QSVXQIVOCZBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-7-9(11)8(14(3)13-7)4-10(2,5-12)6-15/h15H,4-6,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol?
2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 276.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 106506256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).