1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid

C10H14N4O2 — CID 73055557

IUPAC1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid
SMILESCC(C)c1nn(C)c2c(C(=O)O)nn(C)c12
InChIInChI=1S/C10H14N4O2/c1-5(2)6-8-9(14(4)11-6)7(10(15)16)12-13(8)3/h5H,1-4H3,(H,15,16)
InChIKeyOMAHPUPHQVTOAM-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.13
Rot. Bonds2

About 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid

1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid (PubChem CID 73055557) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid
PubChem CID73055557
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid
SMILESCC(C)c1nn(C)c2c(C(=O)O)nn(C)c12
InChIInChI=1S/C10H14N4O2/c1-5(2)6-8-9(14(4)11-6)7(10(15)16)12-13(8)3/h5H,1-4H3,(H,15,16)
InChIKeyOMAHPUPHQVTOAM-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid?
The IUPAC name of 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid (CID 73055557) is 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid is CC(C)c1nn(C)c2c(C(=O)O)nn(C)c12.
What is the InChIKey of 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid?
The InChIKey is OMAHPUPHQVTOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-5(2)6-8-9(14(4)11-6)7(10(15)16)12-13(8)3/h5H,1-4H3,(H,15,16).
What are the key properties of 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid?
1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-propan-2-ylpyrazolo[4,5-c]pyrazole-6-carboxylic acid is sourced from PubChem (CID 73055557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).