2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole

C15H12N4O2S — CID 158699619

IUPAC2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole
SMILESCc1nccs1.N#Cc1ccc(-n2nccc2C(=O)O)cc1
InChIInChI=1S/C11H7N3O2.C4H5NS/c12-7-8-1-3-9(4-2-8)14-10(11(15)16)5-6-13-14;1-4-5-2-3-6-4/h1-6H,(H,15,16);2-3H,1H3
InChIKeyIHJJMPZGZARTIZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.89
Rot. Bonds2

About 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole

2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole (PubChem CID 158699619) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole
PubChem CID158699619
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole
SMILESCc1nccs1.N#Cc1ccc(-n2nccc2C(=O)O)cc1
InChIInChI=1S/C11H7N3O2.C4H5NS/c12-7-8-1-3-9(4-2-8)14-10(11(15)16)5-6-13-14;1-4-5-2-3-6-4/h1-6H,(H,15,16);2-3H,1H3
InChIKeyIHJJMPZGZARTIZ-UHFFFAOYSA-N
XLogP2.89
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole?
The IUPAC name of 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole (CID 158699619) is 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole is Cc1nccs1.N#Cc1ccc(-n2nccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole?
The InChIKey is IHJJMPZGZARTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2.C4H5NS/c12-7-8-1-3-9(4-2-8)14-10(11(15)16)5-6-13-14;1-4-5-2-3-6-4/h1-6H,(H,15,16);2-3H,1H3.
What are the key properties of 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole?
2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole has a molecular weight of 312.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole is sourced from PubChem (CID 158699619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).