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

C9H14N4 — CID 105437694

IUPAC1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
SMILESNC1(c2ccnn2C2CNC2)CC1
InChIInChI=1S/C9H14N4/c10-9(2-3-9)8-1-4-12-13(8)7-5-11-6-7/h1,4,7,11H,2-3,5-6,10H2
InChIKeyMAZPOCLWIYMMMS-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.02
Rot. Bonds2

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

1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine (PubChem CID 105437694) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
PubChem CID105437694
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
SMILESNC1(c2ccnn2C2CNC2)CC1
InChIInChI=1S/C9H14N4/c10-9(2-3-9)8-1-4-12-13(8)7-5-11-6-7/h1,4,7,11H,2-3,5-6,10H2
InChIKeyMAZPOCLWIYMMMS-UHFFFAOYSA-N
XLogP-0.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine (CID 105437694) is 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine is NC1(c2ccnn2C2CNC2)CC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine?
The InChIKey is MAZPOCLWIYMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-9(2-3-9)8-1-4-12-13(8)7-5-11-6-7/h1,4,7,11H,2-3,5-6,10H2.
What are the key properties of 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine?
1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine has a molecular weight of 178.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 105437694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).