3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole

C13H16N4 — CID 75588002

IUPAC3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole
SMILESCc1nn(-c2ccccc2)cc1C1CCNN1
InChIInChI=1S/C13H16N4/c1-10-12(13-7-8-14-15-13)9-17(16-10)11-5-3-2-4-6-11/h2-6,9,13-15H,7-8H2,1H3
InChIKeyRXYFOTZXGZFVGE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole

3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole (PubChem CID 75588002) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole
PubChem CID75588002
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole
SMILESCc1nn(-c2ccccc2)cc1C1CCNN1
InChIInChI=1S/C13H16N4/c1-10-12(13-7-8-14-15-13)9-17(16-10)11-5-3-2-4-6-11/h2-6,9,13-15H,7-8H2,1H3
InChIKeyRXYFOTZXGZFVGE-UHFFFAOYSA-N
XLogP1.72
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole?
The IUPAC name of 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole (CID 75588002) is 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole.
What is the SMILES notation for 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole?
The canonical SMILES for 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole is Cc1nn(-c2ccccc2)cc1C1CCNN1.
What is the InChIKey of 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole?
The InChIKey is RXYFOTZXGZFVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-12(13-7-8-14-15-13)9-17(16-10)11-5-3-2-4-6-11/h2-6,9,13-15H,7-8H2,1H3.
What are the key properties of 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole?
3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole has a molecular weight of 228.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4-pyrazolidin-3-ylpyrazole is sourced from PubChem (CID 75588002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).