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

C9H11N3O2 — CID 83915632

IUPAC5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C1CC1)C2
InChIInChI=1S/C9H11N3O2/c13-9(14)8-6-3-12(5-1-2-5)4-7(6)10-11-8/h5H,1-4H2,(H,10,11)(H,13,14)
InChIKeyRTWXPCUMGATRPW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.59
Rot. Bonds2

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

5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid (PubChem CID 83915632) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
PubChem CID83915632
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C1CC1)C2
InChIInChI=1S/C9H11N3O2/c13-9(14)8-6-3-12(5-1-2-5)4-7(6)10-11-8/h5H,1-4H2,(H,10,11)(H,13,14)
InChIKeyRTWXPCUMGATRPW-UHFFFAOYSA-N
XLogP0.59
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid (CID 83915632) is 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(C1CC1)C2.
What is the InChIKey of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The InChIKey is RTWXPCUMGATRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)8-6-3-12(5-1-2-5)4-7(6)10-11-8/h5H,1-4H2,(H,10,11)(H,13,14).
What are the key properties of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 83915632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).