3-propan-2-ylindeno[1,2-c]pyrazole

C13H12N2 — CID 57373676

IUPAC3-propan-2-ylindeno[1,2-c]pyrazole
SMILESCC(C)C1=C2C=c3ccccc3=C2N=N1
InChIInChI=1S/C13H12N2/c1-8(2)12-11-7-9-5-3-4-6-10(9)13(11)15-14-12/h3-8H,1-2H3
InChIKeyFJVBRDAGNVWDSA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.96
Rot. Bonds1

About 3-propan-2-ylindeno[1,2-c]pyrazole

3-propan-2-ylindeno[1,2-c]pyrazole (PubChem CID 57373676) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-propan-2-ylindeno[1,2-c]pyrazole.

Molecular Properties

Compound Name3-propan-2-ylindeno[1,2-c]pyrazole
PubChem CID57373676
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-propan-2-ylindeno[1,2-c]pyrazole
SMILESCC(C)C1=C2C=c3ccccc3=C2N=N1
InChIInChI=1S/C13H12N2/c1-8(2)12-11-7-9-5-3-4-6-10(9)13(11)15-14-12/h3-8H,1-2H3
InChIKeyFJVBRDAGNVWDSA-UHFFFAOYSA-N
XLogP1.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylindeno[1,2-c]pyrazole?
The IUPAC name of 3-propan-2-ylindeno[1,2-c]pyrazole (CID 57373676) is 3-propan-2-ylindeno[1,2-c]pyrazole.
What is the SMILES notation for 3-propan-2-ylindeno[1,2-c]pyrazole?
The canonical SMILES for 3-propan-2-ylindeno[1,2-c]pyrazole is CC(C)C1=C2C=c3ccccc3=C2N=N1.
What is the InChIKey of 3-propan-2-ylindeno[1,2-c]pyrazole?
The InChIKey is FJVBRDAGNVWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-8(2)12-11-7-9-5-3-4-6-10(9)13(11)15-14-12/h3-8H,1-2H3.
What are the key properties of 3-propan-2-ylindeno[1,2-c]pyrazole?
3-propan-2-ylindeno[1,2-c]pyrazole has a molecular weight of 196.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylindeno[1,2-c]pyrazole is sourced from PubChem (CID 57373676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).