1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid

C6H5N3O2 — CID 135976840

IUPAC1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2[nH]ncc2[nH]1
InChIInChI=1S/C6H5N3O2/c10-6(11)4-1-3-5(8-4)2-7-9-3/h1-2,8H,(H,7,9)(H,10,11)
InChIKeyJESHBAKAUQDDRC-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.59
Rot. Bonds1

About 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid

1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid (PubChem CID 135976840) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid
PubChem CID135976840
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2[nH]ncc2[nH]1
InChIInChI=1S/C6H5N3O2/c10-6(11)4-1-3-5(8-4)2-7-9-3/h1-2,8H,(H,7,9)(H,10,11)
InChIKeyJESHBAKAUQDDRC-UHFFFAOYSA-N
XLogP0.59
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1H,4H-pyrrolo(3,2-b)pyrrole-2-carboxylic acid
CID 51000043
1H-Pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 69271699
3-methyl-1H-pyrazolo(3,4-c)pyridine-5-carboxylic acid
CID 82599299
ethyl 1-methyl-1H,4H-pyrrolo[3,2-c]pyrazole-5-carboxylate
CID 137194912
5-[5-(Trifluoromethyl)pyrazin-2-yl]-1H-pyrazole-3-carboxylic Acid
CID 176466767
5-Pyrazin-2-yl-1H-pyrazole-3-carboxylic acid
CID 16740874
7-anilino-1H-pyrazolo[4,5-b]pyridine-5-carboxylic acid
CID 20228768
7-chloro-1H-pyrazolo[4,5-b]pyridine-5-carboxylic acid
CID 20228778
4H-pyrrolo[3,2-d][1,3]selenazole-5-carboxylic acid
CID 44544326
2-methyl-4H-pyrrolo[3,2-d][1,3]selenazole-5-carboxylic acid
CID 44544331
1H-Pyrazolo[3,4-C]pyridine-5-carboxylic acid
CID 58374309
4-Methyl-1,4-dihydropyrrolo[3,2-b]pyrrole-2-carboxylate potassium salt
CID 59648687

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid (CID 135976840) is 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid is O=C(O)c1cc2[nH]ncc2[nH]1.
What is the InChIKey of 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid?
The InChIKey is JESHBAKAUQDDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-6(11)4-1-3-5(8-4)2-7-9-3/h1-2,8H,(H,7,9)(H,10,11).
What are the key properties of 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid?
1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid has a molecular weight of 151.12 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrrolo[2,3-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 135976840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).