(3S)-3-methylpyrazolidine

C4H10N2 — CID 70308907

IUPAC(3S)-3-methylpyrazolidine
SMILESC[C@H]1CCNN1
InChIInChI=1S/C4H10N2/c1-4-2-3-5-6-4/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyZZIXNGRDILYTIK-BYPYZUCNSA-N
MW86.14 g/mol
LogP-0.13
Rot. Bonds

About (3S)-3-methylpyrazolidine

(3S)-3-methylpyrazolidine (PubChem CID 70308907) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is (3S)-3-methylpyrazolidine.

Molecular Properties

Compound Name(3S)-3-methylpyrazolidine
PubChem CID70308907
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Name(3S)-3-methylpyrazolidine
SMILESC[C@H]1CCNN1
InChIInChI=1S/C4H10N2/c1-4-2-3-5-6-4/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyZZIXNGRDILYTIK-BYPYZUCNSA-N
XLogP-0.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpyrazolidine?
The IUPAC name of (3S)-3-methylpyrazolidine (CID 70308907) is (3S)-3-methylpyrazolidine.
What is the SMILES notation for (3S)-3-methylpyrazolidine?
The canonical SMILES for (3S)-3-methylpyrazolidine is C[C@H]1CCNN1.
What is the InChIKey of (3S)-3-methylpyrazolidine?
The InChIKey is ZZIXNGRDILYTIK-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10N2/c1-4-2-3-5-6-4/h4-6H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-methylpyrazolidine?
(3S)-3-methylpyrazolidine has a molecular weight of 86.14 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpyrazolidine is sourced from PubChem (CID 70308907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).