3-pyrazol-1-ylpropan-1-amine

C6H11N3 — CID 7023140

IUPAC3-pyrazol-1-ylpropan-1-amine
SMILESNCCCn1cccn1
InChIInChI=1S/C6H11N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5,7H2
InChIKeyJSXVMXHCFBPCLV-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.23
Rot. Bonds3

About 3-pyrazol-1-ylpropan-1-amine

3-pyrazol-1-ylpropan-1-amine (PubChem CID 7023140) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-pyrazol-1-ylpropan-1-amine
PubChem CID7023140
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-pyrazol-1-ylpropan-1-amine
SMILESNCCCn1cccn1
InChIInChI=1S/C6H11N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5,7H2
InChIKeyJSXVMXHCFBPCLV-UHFFFAOYSA-N
XLogP0.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of 3-pyrazol-1-ylpropan-1-amine (CID 7023140) is 3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for 3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for 3-pyrazol-1-ylpropan-1-amine is NCCCn1cccn1.
What is the InChIKey of 3-pyrazol-1-ylpropan-1-amine?
The InChIKey is JSXVMXHCFBPCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5,7H2.
What are the key properties of 3-pyrazol-1-ylpropan-1-amine?
3-pyrazol-1-ylpropan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 7023140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).