1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine

C13H17N3 — CID 105468966

IUPAC1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine
SMILESCCc1nn(C)c2cccc(C3(N)CC3)c12
InChIInChI=1S/C13H17N3/c1-3-10-12-9(13(14)7-8-13)5-4-6-11(12)16(2)15-10/h4-6H,3,7-8,14H2,1-2H3
InChIKeyJMXXXYGPLWMIJU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine

1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine (PubChem CID 105468966) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine
PubChem CID105468966
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine
SMILESCCc1nn(C)c2cccc(C3(N)CC3)c12
InChIInChI=1S/C13H17N3/c1-3-10-12-9(13(14)7-8-13)5-4-6-11(12)16(2)15-10/h4-6H,3,7-8,14H2,1-2H3
InChIKeyJMXXXYGPLWMIJU-UHFFFAOYSA-N
XLogP2.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine (CID 105468966) is 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine is CCc1nn(C)c2cccc(C3(N)CC3)c12.
What is the InChIKey of 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine?
The InChIKey is JMXXXYGPLWMIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10-12-9(13(14)7-8-13)5-4-6-11(12)16(2)15-10/h4-6H,3,7-8,14H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine?
1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylindazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 105468966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).