N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine

C13H21N5 — CID 165474174

IUPACN-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
SMILESc1cc(NCC23CC2CCCN3)n(C2CNC2)n1
InChIInChI=1S/C13H21N5/c1-2-10-6-13(10,16-4-1)9-15-12-3-5-17-18(12)11-7-14-8-11/h3,5,10-11,14-16H,1-2,4,6-9H2
InChIKeyCUBFMPGLPBGSBC-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.58
Rot. Bonds4

About N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine

N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine (PubChem CID 165474174) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
PubChem CID165474174
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
SMILESc1cc(NCC23CC2CCCN3)n(C2CNC2)n1
InChIInChI=1S/C13H21N5/c1-2-10-6-13(10,16-4-1)9-15-12-3-5-17-18(12)11-7-14-8-11/h3,5,10-11,14-16H,1-2,4,6-9H2
InChIKeyCUBFMPGLPBGSBC-UHFFFAOYSA-N
XLogP0.58
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine?
The IUPAC name of N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine (CID 165474174) is N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine.
What is the SMILES notation for N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine?
The canonical SMILES for N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine is c1cc(NCC23CC2CCCN3)n(C2CNC2)n1.
What is the InChIKey of N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine?
The InChIKey is CUBFMPGLPBGSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-2-10-6-13(10,16-4-1)9-15-12-3-5-17-18(12)11-7-14-8-11/h3,5,10-11,14-16H,1-2,4,6-9H2.
What are the key properties of N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine?
N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine has a molecular weight of 247.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine is sourced from PubChem (CID 165474174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).