2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol

C6H9N3O — CID 162349435

IUPAC2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol
SMILESOCc1cc2n(n1)CCN2
InChIInChI=1S/C6H9N3O/c10-4-5-3-6-7-1-2-9(6)8-5/h3,7,10H,1-2,4H2
InChIKeyPJQPNYVLWRQHHT-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.20
Rot. Bonds1

About 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol

2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol (PubChem CID 162349435) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol
PubChem CID162349435
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol
SMILESOCc1cc2n(n1)CCN2
InChIInChI=1S/C6H9N3O/c10-4-5-3-6-7-1-2-9(6)8-5/h3,7,10H,1-2,4H2
InChIKeyPJQPNYVLWRQHHT-UHFFFAOYSA-N
XLogP-0.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol?
The IUPAC name of 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol (CID 162349435) is 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol?
The canonical SMILES for 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol is OCc1cc2n(n1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol?
The InChIKey is PJQPNYVLWRQHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-4-5-3-6-7-1-2-9(6)8-5/h3,7,10H,1-2,4H2.
What are the key properties of 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol?
2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol has a molecular weight of 139.16 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-imidazo[2,1-e]pyrazol-6-ylmethanol is sourced from PubChem (CID 162349435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).