(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine

C12H20N4 — CID 124748837

IUPAC(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine
SMILESCN1CCC[C@@H]1c1n[nH]c2c1[C@H](N)CCC2
InChIInChI=1S/C12H20N4/c1-16-7-3-6-10(16)12-11-8(13)4-2-5-9(11)14-15-12/h8,10H,2-7,13H2,1H3,(H,14,15)/t8-,10-/m1/s1
InChIKeyZVFZUUAVIAYGQA-PSASIEDQSA-N
MW220.32 g/mol
LogP1.51
Rot. Bonds1

About (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine

(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine (PubChem CID 124748837) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine.

Molecular Properties

Compound Name(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine
PubChem CID124748837
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine
SMILESCN1CCC[C@@H]1c1n[nH]c2c1[C@H](N)CCC2
InChIInChI=1S/C12H20N4/c1-16-7-3-6-10(16)12-11-8(13)4-2-5-9(11)14-15-12/h8,10H,2-7,13H2,1H3,(H,14,15)/t8-,10-/m1/s1
InChIKeyZVFZUUAVIAYGQA-PSASIEDQSA-N
XLogP1.51
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The IUPAC name of (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine (CID 124748837) is (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine.
What is the SMILES notation for (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The canonical SMILES for (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine is CN1CCC[C@@H]1c1n[nH]c2c1[C@H](N)CCC2.
What is the InChIKey of (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine?
The InChIKey is ZVFZUUAVIAYGQA-PSASIEDQSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-7-3-6-10(16)12-11-8(13)4-2-5-9(11)14-15-12/h8,10H,2-7,13H2,1H3,(H,14,15)/t8-,10-/m1/s1.
What are the key properties of (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine?
(4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-1-methylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-indazol-4-amine is sourced from PubChem (CID 124748837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).