(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine

C13H24N4 — CID 178196710

IUPAC(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1c1ccnn1C(C)C
InChIInChI=1S/C13H24N4/c1-9(2)16-8-6-11(14)13(16)12-5-7-15-17(12)10(3)4/h5,7,9-11,13H,6,8,14H2,1-4H3/t11-,13-/m0/s1
InChIKeyYONAGCOIBZEVHE-AAEUAGOBSA-N
MW236.36 g/mol
LogP1.95
Rot. Bonds3

About (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine

(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine (PubChem CID 178196710) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine
PubChem CID178196710
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1c1ccnn1C(C)C
InChIInChI=1S/C13H24N4/c1-9(2)16-8-6-11(14)13(16)12-5-7-15-17(12)10(3)4/h5,7,9-11,13H,6,8,14H2,1-4H3/t11-,13-/m0/s1
InChIKeyYONAGCOIBZEVHE-AAEUAGOBSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine (CID 178196710) is (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine is CC(C)N1CC[C@H](N)[C@H]1c1ccnn1C(C)C.
What is the InChIKey of (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine?
The InChIKey is YONAGCOIBZEVHE-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)16-8-6-11(14)13(16)12-5-7-15-17(12)10(3)4/h5,7,9-11,13H,6,8,14H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine?
(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 178196710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).