6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid

C7H6N2O2 — CID 130299224

IUPAC6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC=C2
InChIInChI=1S/C7H6N2O2/c10-7(11)6-4-5-2-1-3-9(5)8-6/h1-2,4H,3H2,(H,10,11)
InChIKeyIATCEXDXRBSKDF-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.61
Rot. Bonds1

About 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid

6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid (PubChem CID 130299224) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid.

Molecular Properties

Compound Name6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid
PubChem CID130299224
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC=C2
InChIInChI=1S/C7H6N2O2/c10-7(11)6-4-5-2-1-3-9(5)8-6/h1-2,4H,3H2,(H,10,11)
InChIKeyIATCEXDXRBSKDF-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
CID 135741953
4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
CID 22605296
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-2-carboxylic acid
CID 86277757
(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
CID 130366723
4-[ethyl(methyl)amino]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165476083
6-ethyl-6-hydroxy-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxylic acid
CID 167414340
1-sulfanylpyrazole-3,5-dicarboxylic acid
CID 20573952
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
CID 164510683
1-amino-5-methylpyrazole-3-carboxylic acid
CID 22099274
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
4-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 83816614

Frequently Asked Questions

What is the IUPAC name of 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid?
The IUPAC name of 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid (CID 130299224) is 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid.
What is the SMILES notation for 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid?
The canonical SMILES for 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid is O=C(O)c1cc2n(n1)CC=C2.
What is the InChIKey of 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid?
The InChIKey is IATCEXDXRBSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-7(11)6-4-5-2-1-3-9(5)8-6/h1-2,4H,3H2,(H,10,11).
What are the key properties of 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid?
6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid has a molecular weight of 150.14 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[2,1-e]pyrazole-2-carboxylic acid is sourced from PubChem (CID 130299224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).