4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol

C8H15N3O — CID 21432448

IUPAC4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol
SMILESCc1cc(N)n(CCCCO)n1
InChIInChI=1S/C8H15N3O/c1-7-6-8(9)11(10-7)4-2-3-5-12/h6,12H,2-5,9H2,1H3
InChIKeyUTNGNZYACLLGPB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.55
Rot. Bonds4

About 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol

4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol (PubChem CID 21432448) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol
PubChem CID21432448
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol
SMILESCc1cc(N)n(CCCCO)n1
InChIInChI=1S/C8H15N3O/c1-7-6-8(9)11(10-7)4-2-3-5-12/h6,12H,2-5,9H2,1H3
InChIKeyUTNGNZYACLLGPB-UHFFFAOYSA-N
XLogP0.55
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol (CID 21432448) is 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol is Cc1cc(N)n(CCCCO)n1.
What is the InChIKey of 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol?
The InChIKey is UTNGNZYACLLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-6-8(9)11(10-7)4-2-3-5-12/h6,12H,2-5,9H2,1H3.
What are the key properties of 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol?
4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-methylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 21432448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).