(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine

C14H20N4 — CID 113282469

IUPAC(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCn1nc(CN2CC[C@H](N)C2)c2ccccc21
InChIInChI=1S/C14H20N4/c1-2-18-14-6-4-3-5-12(14)13(16-18)10-17-8-7-11(15)9-17/h3-6,11H,2,7-10,15H2,1H3/t11-/m0/s1
InChIKeyHZJOHGHOPYMDAJ-NSHDSACASA-N
MW244.34 g/mol
LogP1.59
Rot. Bonds3

About (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine

(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 113282469) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID113282469
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCn1nc(CN2CC[C@H](N)C2)c2ccccc21
InChIInChI=1S/C14H20N4/c1-2-18-14-6-4-3-5-12(14)13(16-18)10-17-8-7-11(15)9-17/h3-6,11H,2,7-10,15H2,1H3/t11-/m0/s1
InChIKeyHZJOHGHOPYMDAJ-NSHDSACASA-N
XLogP1.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103577247
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
CID 104881355
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
CID 79537391
(3R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-amine
CID 115301850
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
CID 106506896
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
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine (CID 113282469) is (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine is CCn1nc(CN2CC[C@H](N)C2)c2ccccc21.
What is the InChIKey of (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is HZJOHGHOPYMDAJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-14-6-4-3-5-12(14)13(16-18)10-17-8-7-11(15)9-17/h3-6,11H,2,7-10,15H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 244.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 113282469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).