3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine

C9H16N4 — CID 105439047

IUPAC3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine
SMILESNCCCc1ccnn1C1CNC1
InChIInChI=1S/C9H16N4/c10-4-1-2-8-3-5-12-13(8)9-6-11-7-9/h3,5,9,11H,1-2,4,6-7,10H2
InChIKeyTXTJGBTZBISWPM-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.08
Rot. Bonds4

About 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine

3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine (PubChem CID 105439047) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine
PubChem CID105439047
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine
SMILESNCCCc1ccnn1C1CNC1
InChIInChI=1S/C9H16N4/c10-4-1-2-8-3-5-12-13(8)9-6-11-7-9/h3,5,9,11H,1-2,4,6-7,10H2
InChIKeyTXTJGBTZBISWPM-UHFFFAOYSA-N
XLogP-0.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine
CID 84733495
1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
CID 105437694
N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
CID 165474686
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027
1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole
CID 59650642
2-(azetidin-3-yl)pyrazole-3-carbonitrile
CID 84731232
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
CID 165483213
4-[5-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 84733271
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine?
The IUPAC name of 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine (CID 105439047) is 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine is NCCCc1ccnn1C1CNC1.
What is the InChIKey of 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine?
The InChIKey is TXTJGBTZBISWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-4-1-2-8-3-5-12-13(8)9-6-11-7-9/h3,5,9,11H,1-2,4,6-7,10H2.
What are the key properties of 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine?
3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine has a molecular weight of 180.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine is sourced from PubChem (CID 105439047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).