1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole

C11H17N3 — CID 66803868

IUPAC1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole
SMILESCC(C)c1cc2n(C(C)C)ccn2n1
InChIInChI=1S/C11H17N3/c1-8(2)10-7-11-13(9(3)4)5-6-14(11)12-10/h5-9H,1-4H3
InChIKeyGCTREKIINYLVSJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.84
Rot. Bonds2

About 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole

1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole (PubChem CID 66803868) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole
PubChem CID66803868
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole
SMILESCC(C)c1cc2n(C(C)C)ccn2n1
InChIInChI=1S/C11H17N3/c1-8(2)10-7-11-13(9(3)4)5-6-14(11)12-10/h5-9H,1-4H3
InChIKeyGCTREKIINYLVSJ-UHFFFAOYSA-N
XLogP2.84
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole?
The IUPAC name of 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole (CID 66803868) is 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole.
What is the SMILES notation for 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole?
The canonical SMILES for 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole is CC(C)c1cc2n(C(C)C)ccn2n1.
What is the InChIKey of 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole?
The InChIKey is GCTREKIINYLVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)10-7-11-13(9(3)4)5-6-14(11)12-10/h5-9H,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole?
1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole has a molecular weight of 191.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)imidazo[2,1-e]pyrazole is sourced from PubChem (CID 66803868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).