5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C10H7Cl2N3O2 — CID 175446476

IUPAC5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC=CCc1c(Cl)nc2c(C(=O)O)cnn2c1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-2-3-5-7(11)14-9-6(10(16)17)4-13-15(9)8(5)12/h2,4H,1,3H2,(H,16,17)
InChIKeyJXHSOORPZPMPCD-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.46
Rot. Bonds3

About 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 175446476) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID175446476
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESC=CCc1c(Cl)nc2c(C(=O)O)cnn2c1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-2-3-5-7(11)14-9-6(10(16)17)4-13-15(9)8(5)12/h2,4H,1,3H2,(H,16,17)
InChIKeyJXHSOORPZPMPCD-UHFFFAOYSA-N
XLogP2.46
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 175446476) is 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is C=CCc1c(Cl)nc2c(C(=O)O)cnn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is JXHSOORPZPMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-2-3-5-7(11)14-9-6(10(16)17)4-13-15(9)8(5)12/h2,4H,1,3H2,(H,16,17).
What are the key properties of 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 272.09 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 175446476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).