3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid

C7H9N3O2 — CID 67128084

IUPAC3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCc1[nH]nc2c1CN(C(=O)O)C2
InChIInChI=1S/C7H9N3O2/c1-4-5-2-10(7(11)12)3-6(5)9-8-4/h2-3H2,1H3,(H,8,9)(H,11,12)
InChIKeyMJJIOWOPFGZMFF-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.71
Rot. Bonds

About 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid

3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 67128084) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID67128084
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCc1[nH]nc2c1CN(C(=O)O)C2
InChIInChI=1S/C7H9N3O2/c1-4-5-2-10(7(11)12)3-6(5)9-8-4/h2-3H2,1H3,(H,8,9)(H,11,12)
InChIKeyMJJIOWOPFGZMFF-UHFFFAOYSA-N
XLogP0.71
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 67128084) is 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid is Cc1[nH]nc2c1CN(C(=O)O)C2.
What is the InChIKey of 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is MJJIOWOPFGZMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-5-2-10(7(11)12)3-6(5)9-8-4/h2-3H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid?
3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 67128084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).