(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole

C13H16N2 — CID 97357523

IUPAC(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole
SMILESCC(C)C1=NN[C@H]2c3ccccc3C[C@H]12
InChIInChI=1S/C13H16N2/c1-8(2)12-11-7-9-5-3-4-6-10(9)13(11)15-14-12/h3-6,8,11,13,15H,7H2,1-2H3/t11-,13+/m1/s1
InChIKeyUVJCNZGKFCWZSZ-YPMHNXCESA-N
MW200.29 g/mol
LogP2.52
Rot. Bonds1

About (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole

(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole (PubChem CID 97357523) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole.

Molecular Properties

Compound Name(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole
PubChem CID97357523
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole
SMILESCC(C)C1=NN[C@H]2c3ccccc3C[C@H]12
InChIInChI=1S/C13H16N2/c1-8(2)12-11-7-9-5-3-4-6-10(9)13(11)15-14-12/h3-6,8,11,13,15H,7H2,1-2H3/t11-,13+/m1/s1
InChIKeyUVJCNZGKFCWZSZ-YPMHNXCESA-N
XLogP2.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole?
The IUPAC name of (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole (CID 97357523) is (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole.
What is the SMILES notation for (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole?
The canonical SMILES for (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole is CC(C)C1=NN[C@H]2c3ccccc3C[C@H]12.
What is the InChIKey of (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole?
The InChIKey is UVJCNZGKFCWZSZ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H16N2/c1-8(2)12-11-7-9-5-3-4-6-10(9)13(11)15-14-12/h3-6,8,11,13,15H,7H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole?
(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole has a molecular weight of 200.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole is sourced from PubChem (CID 97357523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).