4-(3-aminopropoxy)pyrazol-1-amine

C6H12N4O — CID 117229962

IUPAC4-(3-aminopropoxy)pyrazol-1-amine
SMILESNCCCOc1cnn(N)c1
InChIInChI=1S/C6H12N4O/c7-2-1-3-11-6-4-9-10(8)5-6/h4-5H,1-3,7-8H2
InChIKeyMMBMRTFUYUCAFC-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.68
Rot. Bonds4

About 4-(3-aminopropoxy)pyrazol-1-amine

4-(3-aminopropoxy)pyrazol-1-amine (PubChem CID 117229962) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(3-aminopropoxy)pyrazol-1-amine.

Molecular Properties

Compound Name4-(3-aminopropoxy)pyrazol-1-amine
PubChem CID117229962
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name4-(3-aminopropoxy)pyrazol-1-amine
SMILESNCCCOc1cnn(N)c1
InChIInChI=1S/C6H12N4O/c7-2-1-3-11-6-4-9-10(8)5-6/h4-5H,1-3,7-8H2
InChIKeyMMBMRTFUYUCAFC-UHFFFAOYSA-N
XLogP-0.68
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-aminopropoxy)pyrazol-1-amine?
The IUPAC name of 4-(3-aminopropoxy)pyrazol-1-amine (CID 117229962) is 4-(3-aminopropoxy)pyrazol-1-amine.
What is the SMILES notation for 4-(3-aminopropoxy)pyrazol-1-amine?
The canonical SMILES for 4-(3-aminopropoxy)pyrazol-1-amine is NCCCOc1cnn(N)c1.
What is the InChIKey of 4-(3-aminopropoxy)pyrazol-1-amine?
The InChIKey is MMBMRTFUYUCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-2-1-3-11-6-4-9-10(8)5-6/h4-5H,1-3,7-8H2.
What are the key properties of 4-(3-aminopropoxy)pyrazol-1-amine?
4-(3-aminopropoxy)pyrazol-1-amine has a molecular weight of 156.19 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)pyrazol-1-amine is sourced from PubChem (CID 117229962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).