4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid

C13H16N4O2 — CID 167930737

IUPAC4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cnc(NCCCC2CC2)c2ccnn12
InChIInChI=1S/C13H16N4O2/c18-13(19)11-8-15-12(10-5-7-16-17(10)11)14-6-1-2-9-3-4-9/h5,7-9H,1-4,6H2,(H,14,15)(H,18,19)
InChIKeyIHEQMIVVXKIBFK-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.03
Rot. Bonds6

About 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid

4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 167930737) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID167930737
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cnc(NCCCC2CC2)c2ccnn12
InChIInChI=1S/C13H16N4O2/c18-13(19)11-8-15-12(10-5-7-16-17(10)11)14-6-1-2-9-3-4-9/h5,7-9H,1-4,6H2,(H,14,15)(H,18,19)
InChIKeyIHEQMIVVXKIBFK-UHFFFAOYSA-N
XLogP2.03
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid (CID 167930737) is 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid is O=C(O)c1cnc(NCCCC2CC2)c2ccnn12.
What is the InChIKey of 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is IHEQMIVVXKIBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(19)11-8-15-12(10-5-7-16-17(10)11)14-6-1-2-9-3-4-9/h5,7-9H,1-4,6H2,(H,14,15)(H,18,19).
What are the key properties of 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid?
4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 167930737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).