(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid

C7H9N3O2 — CID 69109051

IUPAC(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CN[C@H]2C(=O)O
InChIInChI=1S/C7H9N3O2/c1-10-5-3-8-6(7(11)12)4(5)2-9-10/h2,6,8H,3H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyUBQRSBSPIIBHAD-ZCFIWIBFSA-N
MW167.17 g/mol
LogP-0.35
Rot. Bonds1

About (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid

(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid (PubChem CID 69109051) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
PubChem CID69109051
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CN[C@H]2C(=O)O
InChIInChI=1S/C7H9N3O2/c1-10-5-3-8-6(7(11)12)4(5)2-9-10/h2,6,8H,3H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyUBQRSBSPIIBHAD-ZCFIWIBFSA-N
XLogP-0.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The IUPAC name of (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid (CID 69109051) is (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid.
What is the SMILES notation for (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The canonical SMILES for (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid is Cn1ncc2c1CN[C@H]2C(=O)O.
What is the InChIKey of (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The InChIKey is UBQRSBSPIIBHAD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10-5-3-8-6(7(11)12)4(5)2-9-10/h2,6,8H,3H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid has a molecular weight of 167.17 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 69109051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).