2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid

C6H7N3O2 — CID 135741953

IUPAC2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN2
InChIInChI=1S/C6H7N3O2/c10-6(11)4-3-5-7-1-2-9(5)8-4/h3,7H,1-2H2,(H,10,11)
InChIKeyHIBFOENIPBTPGJ-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.01
Rot. Bonds1

About 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid

2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid (PubChem CID 135741953) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
PubChem CID135741953
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN2
InChIInChI=1S/C6H7N3O2/c10-6(11)4-3-5-7-1-2-9(5)8-4/h3,7H,1-2H2,(H,10,11)
InChIKeyHIBFOENIPBTPGJ-UHFFFAOYSA-N
XLogP0.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.01
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]pyrazole-6-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid (CID 135741953) is 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
The InChIKey is HIBFOENIPBTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6(11)4-3-5-7-1-2-9(5)8-4/h3,7H,1-2H2,(H,10,11).
What are the key properties of 2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.01, 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]pyrazole-6-carboxylic acid is sourced from PubChem (CID 135741953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).