1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid

C15H13N3O2S — CID 90275664

IUPAC1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2nccs2)cc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C15H13N3O2S/c1-9-3-4-10(14-16-5-6-21-14)7-11(9)13-8-12(15(19)20)17-18(13)2/h3-8H,1-2H3,(H,19,20)
InChIKeyCOVWHXMQIHVMNN-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.22
Rot. Bonds3

About 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid

1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid (PubChem CID 90275664) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid
PubChem CID90275664
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2nccs2)cc1-c1cc(C(=O)O)nn1C
InChIInChI=1S/C15H13N3O2S/c1-9-3-4-10(14-16-5-6-21-14)7-11(9)13-8-12(15(19)20)17-18(13)2/h3-8H,1-2H3,(H,19,20)
InChIKeyCOVWHXMQIHVMNN-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid (CID 90275664) is 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid is Cc1ccc(-c2nccs2)cc1-c1cc(C(=O)O)nn1C.
What is the InChIKey of 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
The InChIKey is COVWHXMQIHVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-3-4-10(14-16-5-6-21-14)7-11(9)13-8-12(15(19)20)17-18(13)2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid?
1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 90275664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).