1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine

C15H22N4 — CID 103577247

IUPAC1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCCn1nc(CN2CC(C)C(N)C2)c2ccccc21
InChIInChI=1S/C15H22N4/c1-3-19-15-7-5-4-6-12(15)14(17-19)10-18-8-11(2)13(16)9-18/h4-7,11,13H,3,8-10,16H2,1-2H3
InChIKeyFHLCGPGDNXVVEF-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.84
Rot. Bonds3

About 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine

1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103577247) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103577247
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCCn1nc(CN2CC(C)C(N)C2)c2ccccc21
InChIInChI=1S/C15H22N4/c1-3-19-15-7-5-4-6-12(15)14(17-19)10-18-8-11(2)13(16)9-18/h4-7,11,13H,3,8-10,16H2,1-2H3
InChIKeyFHLCGPGDNXVVEF-UHFFFAOYSA-N
XLogP1.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine (CID 103577247) is 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine is CCn1nc(CN2CC(C)C(N)C2)c2ccccc21.
What is the InChIKey of 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is FHLCGPGDNXVVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19-15-7-5-4-6-12(15)14(17-19)10-18-8-11(2)13(16)9-18/h4-7,11,13H,3,8-10,16H2,1-2H3.
What are the key properties of 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine?
1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103577247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).