(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dipropyl-(4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl)-amine
CID 11356479
Dipropyl-(S)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11615489
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
Dipropyl-(R)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11708363
3-(pyrrolidin-2-yl)-1H-pyrazole
CID 23282562
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
3-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 55266680

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).