1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid

C9H8N4O2S — CID 65274629

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2nc(C3CC3)ns2)n1
InChIInChI=1S/C9H8N4O2S/c14-8(15)6-3-4-13(11-6)9-10-7(12-16-9)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeyRMMNNRXEDFMHEB-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.30
Rot. Bonds3

About 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid (PubChem CID 65274629) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid
PubChem CID65274629
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2nc(C3CC3)ns2)n1
InChIInChI=1S/C9H8N4O2S/c14-8(15)6-3-4-13(11-6)9-10-7(12-16-9)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeyRMMNNRXEDFMHEB-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid (CID 65274629) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2nc(C3CC3)ns2)n1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid?
The InChIKey is RMMNNRXEDFMHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-8(15)6-3-4-13(11-6)9-10-7(12-16-9)5-1-2-5/h3-5H,1-2H2,(H,14,15).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid has a molecular weight of 236.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 65274629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).