1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

C8H11N3O2 — CID 175361043

IUPAC1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESCC1c2c(cnn2C)CN1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5-7-6(3-9-10(7)2)4-11(5)8(12)13/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyQMWNTLXEZZCRED-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.97
Rot. Bonds

About 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (PubChem CID 175361043) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
PubChem CID175361043
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESCC1c2c(cnn2C)CN1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5-7-6(3-9-10(7)2)4-11(5)8(12)13/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyQMWNTLXEZZCRED-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-6-N-hydroxy-7-N,7-N,1-trimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxamide
CID 135213841
1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 97468338
cyclopropyl-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131656652
(4R,7R)-1-methyl-4-(prop-2-enoxyamino)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid
CID 87801441
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-3-methylbutan-1-one
CID 131648412
6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 155123943
(7R)-7-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382742
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-7-ol
CID 175870854
3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid
CID 83830722
1-methyl-5-(thian-4-yl)pyrazole-4-carboxylic acid
CID 105483999
5-cyclopropyl-1-methyl-N-(2-methylprop-2-enyl)pyrazol-4-amine
CID 130685297
1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382738

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (CID 175361043) is 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is CC1c2c(cnn2C)CN1C(=O)O.
What is the InChIKey of 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The InChIKey is QMWNTLXEZZCRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-7-6(3-9-10(7)2)4-11(5)8(12)13/h3,5H,4H2,1-2H3,(H,12,13).
What are the key properties of 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 175361043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).