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

C7H9N3O2 — CID 69109052

IUPAC1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CNC2C(=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)
InChIKeyUBQRSBSPIIBHAD-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.35
Rot. Bonds1

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

1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid (PubChem CID 69109052) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
PubChem CID69109052
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CNC2C(=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)
InChIKeyUBQRSBSPIIBHAD-UHFFFAOYSA-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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Related Compounds

2-amino-2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 75355602
5-[(tert-butoxy)carbonyl]-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 77605088
2-(1,5-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 79584541
2-(1,3-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 83089041
5-[(tert-butoxy)carbonyl]-2-(2,2,2-trifluoroethyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 165474615
tert-butyl 2-(2,2,2-trifluoroethyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylate
CID 165800102
1-methyl-5-(2,2,2-trifluoroacetyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 165910230
2-(1,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroacetamido)acetic acid
CID 165938678
1-Ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 18541312
(4S)-1-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 20583547
(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 69109051
(4S)-5-[(tert-butoxy)carbonyl]-1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 69109401

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid (CID 69109052) is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid is Cn1ncc2c1CNC2C(=O)O.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The InChIKey is UBQRSBSPIIBHAD-UHFFFAOYSA-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).
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
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 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 69109052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).