6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid

C14H13N3O2 — CID 170635404

IUPAC6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESC=C/C=C(\C=C/C)c1cn2ncc(C(=O)O)c2cn1
InChIInChI=1S/C14H13N3O2/c1-3-5-10(6-4-2)12-9-17-13(8-15-12)11(7-16-17)14(18)19/h3-9H,1H2,2H3,(H,18,19)/b6-4-,10-5+
InChIKeyJHAHMWIGKXXHJU-KNVSICBPSA-N
MW255.28 g/mol
LogP2.57
Rot. Bonds4

About 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid

6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 170635404) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID170635404
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESC=C/C=C(\C=C/C)c1cn2ncc(C(=O)O)c2cn1
InChIInChI=1S/C14H13N3O2/c1-3-5-10(6-4-2)12-9-17-13(8-15-12)11(7-16-17)14(18)19/h3-9H,1H2,2H3,(H,18,19)/b6-4-,10-5+
InChIKeyJHAHMWIGKXXHJU-KNVSICBPSA-N
XLogP2.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 170635404) is 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid is C=C/C=C(\C=C/C)c1cn2ncc(C(=O)O)c2cn1.
What is the InChIKey of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is JHAHMWIGKXXHJU-KNVSICBPSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-3-5-10(6-4-2)12-9-17-13(8-15-12)11(7-16-17)14(18)19/h3-9H,1H2,2H3,(H,18,19)/b6-4-,10-5+.
What are the key properties of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 170635404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).