3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol

C9H17N3O — CID 104840534

IUPAC3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)n1ccc(C)n1
InChIInChI=1S/C9H17N3O/c1-3-8(10)9(6-13)12-5-4-7(2)11-12/h4-5,8-9,13H,3,6,10H2,1-2H3
InChIKeyIKIFNXADQQTZNY-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.46
Rot. Bonds4

About 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol

3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol (PubChem CID 104840534) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol
PubChem CID104840534
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)n1ccc(C)n1
InChIInChI=1S/C9H17N3O/c1-3-8(10)9(6-13)12-5-4-7(2)11-12/h4-5,8-9,13H,3,6,10H2,1-2H3
InChIKeyIKIFNXADQQTZNY-UHFFFAOYSA-N
XLogP0.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol (CID 104840534) is 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol is CCC(N)C(CO)n1ccc(C)n1.
What is the InChIKey of 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol?
The InChIKey is IKIFNXADQQTZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-8(10)9(6-13)12-5-4-7(2)11-12/h4-5,8-9,13H,3,6,10H2,1-2H3.
What are the key properties of 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol?
3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylpyrazol-1-yl)pentan-1-ol is sourced from PubChem (CID 104840534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).