2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol

C8H15N3O — CID 66968472

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol
SMILESCn1nc(C(C)(C)CO)cc1N
InChIInChI=1S/C8H15N3O/c1-8(2,5-12)6-4-7(9)11(3)10-6/h4,12H,5,9H2,1-3H3
InChIKeyFGYGDRCWRRJIPR-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.27
Rot. Bonds2

About 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol

2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol (PubChem CID 66968472) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol
PubChem CID66968472
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol
SMILESCn1nc(C(C)(C)CO)cc1N
InChIInChI=1S/C8H15N3O/c1-8(2,5-12)6-4-7(9)11(3)10-6/h4,12H,5,9H2,1-3H3
InChIKeyFGYGDRCWRRJIPR-UHFFFAOYSA-N
XLogP0.27
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol (CID 66968472) is 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol is Cn1nc(C(C)(C)CO)cc1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol?
The InChIKey is FGYGDRCWRRJIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,5-12)6-4-7(9)11(3)10-6/h4,12H,5,9H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol?
2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 66968472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).