2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine

C12H21N5O — CID 165484802

IUPAC2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
SMILESCC1(OCCNc2ccnn2C2CNC2)CNC1
InChIInChI=1S/C12H21N5O/c1-12(8-14-9-12)18-5-4-15-11-2-3-16-17(11)10-6-13-7-10/h2-3,10,13-15H,4-9H2,1H3
InChIKeySXVKHONHHUCCME-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.18
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine

2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine (PubChem CID 165484802) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
PubChem CID165484802
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
SMILESCC1(OCCNc2ccnn2C2CNC2)CNC1
InChIInChI=1S/C12H21N5O/c1-12(8-14-9-12)18-5-4-15-11-2-3-16-17(11)10-6-13-7-10/h2-3,10,13-15H,4-9H2,1H3
InChIKeySXVKHONHHUCCME-UHFFFAOYSA-N
XLogP-0.18
TPSA63.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine (CID 165484802) is 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine is CC1(OCCNc2ccnn2C2CNC2)CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine?
The InChIKey is SXVKHONHHUCCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(8-14-9-12)18-5-4-15-11-2-3-16-17(11)10-6-13-7-10/h2-3,10,13-15H,4-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine?
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine has a molecular weight of 251.33 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine is sourced from PubChem (CID 165484802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).