3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine

C12H18N4 — CID 121214860

IUPAC3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine
SMILESNCCCn1ccn2nc(C3CCC3)cc12
InChIInChI=1S/C12H18N4/c13-5-2-6-15-7-8-16-12(15)9-11(14-16)10-3-1-4-10/h7-10H,1-6,13H2
InChIKeyAEMHGEALSHNVQC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.75
Rot. Bonds4

About 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine

3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine (PubChem CID 121214860) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine
PubChem CID121214860
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine
SMILESNCCCn1ccn2nc(C3CCC3)cc12
InChIInChI=1S/C12H18N4/c13-5-2-6-15-7-8-16-12(15)9-11(14-16)10-3-1-4-10/h7-10H,1-6,13H2
InChIKeyAEMHGEALSHNVQC-UHFFFAOYSA-N
XLogP1.75
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine (CID 121214860) is 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine is NCCCn1ccn2nc(C3CCC3)cc12.
What is the InChIKey of 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine?
The InChIKey is AEMHGEALSHNVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-5-2-6-15-7-8-16-12(15)9-11(14-16)10-3-1-4-10/h7-10H,1-6,13H2.
What are the key properties of 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine?
3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclobutylimidazo[2,1-e]pyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 121214860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).