3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride

C9H15Cl2N3 — CID 138039911

IUPAC3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
SMILESC1Cc2[nH]nc(C3CNC3)c2C1.Cl.Cl
InChIInChI=1S/C9H13N3.2ClH/c1-2-7-8(3-1)11-12-9(7)6-4-10-5-6;;/h6,10H,1-5H2,(H,11,12);2*1H
InChIKeyUSOSNODQGROOLQ-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.43
Rot. Bonds1

About 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride

3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride (PubChem CID 138039911) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
PubChem CID138039911
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride
SMILESC1Cc2[nH]nc(C3CNC3)c2C1.Cl.Cl
InChIInChI=1S/C9H13N3.2ClH/c1-2-7-8(3-1)11-12-9(7)6-4-10-5-6;;/h6,10H,1-5H2,(H,11,12);2*1H
InChIKeyUSOSNODQGROOLQ-UHFFFAOYSA-N
XLogP1.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride (CID 138039911) is 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride is C1Cc2[nH]nc(C3CNC3)c2C1.Cl.Cl.
What is the InChIKey of 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride?
The InChIKey is USOSNODQGROOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-2-7-8(3-1)11-12-9(7)6-4-10-5-6;;/h6,10H,1-5H2,(H,11,12);2*1H.
What are the key properties of 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride?
3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;dihydrochloride is sourced from PubChem (CID 138039911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).