2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid

C10H15N3O2 — CID 112711077

IUPAC2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid
SMILESCC(C)n1nc2c(c1CC(=O)O)CNC2
InChIInChI=1S/C10H15N3O2/c1-6(2)13-9(3-10(14)15)7-4-11-5-8(7)12-13/h6,11H,3-5H2,1-2H3,(H,14,15)
InChIKeyOLGNFBIMAIQYHQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.69
Rot. Bonds3

About 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid

2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid (PubChem CID 112711077) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid
PubChem CID112711077
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid
SMILESCC(C)n1nc2c(c1CC(=O)O)CNC2
InChIInChI=1S/C10H15N3O2/c1-6(2)13-9(3-10(14)15)7-4-11-5-8(7)12-13/h6,11H,3-5H2,1-2H3,(H,14,15)
InChIKeyOLGNFBIMAIQYHQ-UHFFFAOYSA-N
XLogP0.69
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 121214446
2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbaldehyde
CID 105438150
(2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711119
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 90162092
2-(2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)acetic acid
CID 83862300
2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 105447284
1,1-dimethyl-3-[(1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methyl]urea
CID 154776355
2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 105477534
3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 112710554
1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 105438135
2-(2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)acetic acid
CID 112711092
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
CID 105450054

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid (CID 112711077) is 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid is CC(C)n1nc2c(c1CC(=O)O)CNC2.
What is the InChIKey of 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid?
The InChIKey is OLGNFBIMAIQYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)13-9(3-10(14)15)7-4-11-5-8(7)12-13/h6,11H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid?
2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl)acetic acid is sourced from PubChem (CID 112711077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).