(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine

C10H14N3- — CID 163468254

IUPAC(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine
SMILESC[C@H]1C[C@H](c2ccccc2)N(N)[N-]1
InChIInChI=1S/C10H14N3/c1-8-7-10(13(11)12-8)9-5-3-2-4-6-9/h2-6,8,10H,7,11H2,1H3/q-1/t8-,10+/m0/s1
InChIKeyZFZVWELZFPIMHX-WCBMZHEXSA-N
MW176.24 g/mol
LogP1.98
Rot. Bonds1

About (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine

(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine (PubChem CID 163468254) has the molecular formula C10H14N3- and a molecular weight of 176.24 g/mol. Its IUPAC name is (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine.

Molecular Properties

Compound Name(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine
PubChem CID163468254
Molecular FormulaC10H14N3-
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Name(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine
SMILESC[C@H]1C[C@H](c2ccccc2)N(N)[N-]1
InChIInChI=1S/C10H14N3/c1-8-7-10(13(11)12-8)9-5-3-2-4-6-9/h2-6,8,10H,7,11H2,1H3/q-1/t8-,10+/m0/s1
InChIKeyZFZVWELZFPIMHX-WCBMZHEXSA-N
XLogP1.98
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine?
The IUPAC name of (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine (CID 163468254) is (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine.
What is the SMILES notation for (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine?
The canonical SMILES for (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine is C[C@H]1C[C@H](c2ccccc2)N(N)[N-]1.
What is the InChIKey of (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine?
The InChIKey is ZFZVWELZFPIMHX-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14N3/c1-8-7-10(13(11)12-8)9-5-3-2-4-6-9/h2-6,8,10H,7,11H2,1H3/q-1/t8-,10+/m0/s1.
What are the key properties of (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine?
(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine has a molecular weight of 176.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine is sourced from PubChem (CID 163468254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).