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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Related Compounds

(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
CID 104881355
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
1-[(2-ethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575226
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115944267
5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
CID 79537391
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 133111847
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
CID 106506896
2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999436
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185

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).