(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-Methyl-2H-indazol-6-amine
CID 590220
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 10732996
N-3-pyrrolidinyl-1H-indazol-5-amine
CID 17838141
3-Ethyl-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 53379389
3-ethyl-1-phenyl-6-(piperazin-1-yl)-1H-indazole
CID 56670165
3-Ethyl-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 56683648
3-Ethyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
CID 56683649
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indazole;hydrochloride
CID 57391903

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).