(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine

C12H22N4 — CID 178196695

IUPAC(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1cc(C)n(C)n1
InChIInChI=1S/C12H22N4/c1-4-6-16-7-5-10(13)12(16)11-8-9(2)15(3)14-11/h8,10,12H,4-7,13H2,1-3H3/t10-,12-/m0/s1
InChIKeyQGZSJSZNOGXTGZ-JQWIXIFHSA-N
MW222.34 g/mol
LogP1.21
Rot. Bonds3

About (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine

(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine (PubChem CID 178196695) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine
PubChem CID178196695
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1cc(C)n(C)n1
InChIInChI=1S/C12H22N4/c1-4-6-16-7-5-10(13)12(16)11-8-9(2)15(3)14-11/h8,10,12H,4-7,13H2,1-3H3/t10-,12-/m0/s1
InChIKeyQGZSJSZNOGXTGZ-JQWIXIFHSA-N
XLogP1.21
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine?
The IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine (CID 178196695) is (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine is CCCN1CC[C@H](N)[C@H]1c1cc(C)n(C)n1.
What is the InChIKey of (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine?
The InChIKey is QGZSJSZNOGXTGZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-6-16-7-5-10(13)12(16)11-8-9(2)15(3)14-11/h8,10,12H,4-7,13H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine?
(2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1,5-dimethylpyrazol-3-yl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 178196695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).