2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

C7H9N3O2 — CID 175331186

IUPAC2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCn1cc2c(n1)CN(C(=O)O)C2
InChIInChI=1S/C7H9N3O2/c1-9-2-5-3-10(7(11)12)4-6(5)8-9/h2H,3-4H2,1H3,(H,11,12)
InChIKeyDQVHBDLJUXKKSE-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.41
Rot. Bonds

About 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 175331186) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID175331186
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCn1cc2c(n1)CN(C(=O)O)C2
InChIInChI=1S/C7H9N3O2/c1-9-2-5-3-10(7(11)12)4-6(5)8-9/h2H,3-4H2,1H3,(H,11,12)
InChIKeyDQVHBDLJUXKKSE-UHFFFAOYSA-N
XLogP0.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 22087040
2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 67379807
2,2-dimethyl-1-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 176621439
2-cyclopentylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 67379803
5-ethyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 118700949
2-(4-nitrophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 175575614
2-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 82409111
2-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 175100443
3-bromo-2-tert-butyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid
CID 155164785
2-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 22335400
tert-butyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 158789339
tert-butyl 2-sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 169217625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 175331186) is 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is Cn1cc2c(n1)CN(C(=O)O)C2.
What is the InChIKey of 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is DQVHBDLJUXKKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-9-2-5-3-10(7(11)12)4-6(5)8-9/h2H,3-4H2,1H3,(H,11,12).
What are the key properties of 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 175331186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).