3-methyl-1-(4-nitrophenyl)pyrazolidine

C10H13N3O2 — CID 140973960

IUPAC3-methyl-1-(4-nitrophenyl)pyrazolidine
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C10H13N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-5,8,11H,6-7H2,1H3
InChIKeyHQOROSKURCATTF-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.70
Rot. Bonds2

About 3-methyl-1-(4-nitrophenyl)pyrazolidine

3-methyl-1-(4-nitrophenyl)pyrazolidine (PubChem CID 140973960) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-methyl-1-(4-nitrophenyl)pyrazolidine.

Molecular Properties

Compound Name3-methyl-1-(4-nitrophenyl)pyrazolidine
PubChem CID140973960
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-methyl-1-(4-nitrophenyl)pyrazolidine
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C10H13N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-5,8,11H,6-7H2,1H3
InChIKeyHQOROSKURCATTF-UHFFFAOYSA-N
XLogP1.70
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
2-methoxy-1-(4-nitrophenyl)pyrrolidine
CID 90244532
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
1-(4-methylcyclohexyl)-4-(4-nitrophenyl)piperazine
CID 2846428
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
5-methyl-3-(4-nitrophenyl)-1,3-diazepane-2,4-dione
CID 80540903
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
(3S,7aR)-3-methyl-1-(4-nitrophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
CID 11821375
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
1-(4-nitrophenyl)-2,3-dihydropyrrole
CID 67551933

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-nitrophenyl)pyrazolidine?
The IUPAC name of 3-methyl-1-(4-nitrophenyl)pyrazolidine (CID 140973960) is 3-methyl-1-(4-nitrophenyl)pyrazolidine.
What is the SMILES notation for 3-methyl-1-(4-nitrophenyl)pyrazolidine?
The canonical SMILES for 3-methyl-1-(4-nitrophenyl)pyrazolidine is CC1CCN(c2ccc([N+](=O)[O-])cc2)N1.
What is the InChIKey of 3-methyl-1-(4-nitrophenyl)pyrazolidine?
The InChIKey is HQOROSKURCATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 3-methyl-1-(4-nitrophenyl)pyrazolidine?
3-methyl-1-(4-nitrophenyl)pyrazolidine has a molecular weight of 207.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-nitrophenyl)pyrazolidine is sourced from PubChem (CID 140973960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).