3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol

C10H19N3O — CID 84774555

IUPAC3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
SMILESCC(C)Cn1nccc1C(N)CCO
InChIInChI=1S/C10H19N3O/c1-8(2)7-13-10(3-5-12-13)9(11)4-6-14/h3,5,8-9,14H,4,6-7,11H2,1-2H3
InChIKeyLYALVCQYKFWFGZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds5

About 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol

3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol (PubChem CID 84774555) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
PubChem CID84774555
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
SMILESCC(C)Cn1nccc1C(N)CCO
InChIInChI=1S/C10H19N3O/c1-8(2)7-13-10(3-5-12-13)9(11)4-6-14/h3,5,8-9,14H,4,6-7,11H2,1-2H3
InChIKeyLYALVCQYKFWFGZ-UHFFFAOYSA-N
XLogP0.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol (CID 84774555) is 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol is CC(C)Cn1nccc1C(N)CCO.
What is the InChIKey of 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
The InChIKey is LYALVCQYKFWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)7-13-10(3-5-12-13)9(11)4-6-14/h3,5,8-9,14H,4,6-7,11H2,1-2H3.
What are the key properties of 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol?
3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 84774555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).