4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine

C9H16N4 — CID 79677476

IUPAC4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine
SMILESCCC1CN(Cc2cn[nH]c2N)C1
InChIInChI=1S/C9H16N4/c1-2-7-4-13(5-7)6-8-3-11-12-9(8)10/h3,7H,2,4-6H2,1H3,(H3,10,11,12)
InChIKeyXFNOQFODIIWJDE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.83
Rot. Bonds3

About 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine

4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine (PubChem CID 79677476) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine
PubChem CID79677476
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine
SMILESCCC1CN(Cc2cn[nH]c2N)C1
InChIInChI=1S/C9H16N4/c1-2-7-4-13(5-7)6-8-3-11-12-9(8)10/h3,7H,2,4-6H2,1H3,(H3,10,11,12)
InChIKeyXFNOQFODIIWJDE-UHFFFAOYSA-N
XLogP0.83
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine (CID 79677476) is 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine is CCC1CN(Cc2cn[nH]c2N)C1.
What is the InChIKey of 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
The InChIKey is XFNOQFODIIWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-7-4-13(5-7)6-8-3-11-12-9(8)10/h3,7H,2,4-6H2,1H3,(H3,10,11,12).
What are the key properties of 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine?
4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine has a molecular weight of 180.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylazetidin-1-yl)methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 79677476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).