5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole

C12H14N2 — CID 170093057

IUPAC5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole
SMILESCCC1CCc2cc3[nH]ncc3cc21
InChIInChI=1S/C12H14N2/c1-2-8-3-4-9-6-12-10(5-11(8)9)7-13-14-12/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyPNRDUGBIFMUCEM-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.00
Rot. Bonds1

About 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole

5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole (PubChem CID 170093057) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole.

Molecular Properties

Compound Name5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole
PubChem CID170093057
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole
SMILESCCC1CCc2cc3[nH]ncc3cc21
InChIInChI=1S/C12H14N2/c1-2-8-3-4-9-6-12-10(5-11(8)9)7-13-14-12/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyPNRDUGBIFMUCEM-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole?
The IUPAC name of 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole (CID 170093057) is 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole.
What is the SMILES notation for 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole?
The canonical SMILES for 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole is CCC1CCc2cc3[nH]ncc3cc21.
What is the InChIKey of 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole?
The InChIKey is PNRDUGBIFMUCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-8-3-4-9-6-12-10(5-11(8)9)7-13-14-12/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole?
5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole has a molecular weight of 186.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,5,6,7-tetrahydrocyclopenta[f]indazole is sourced from PubChem (CID 170093057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).