2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid

C14H11N3O3S — CID 156568345

IUPAC2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(-c2cc(=O)n(-c3nc(C(=O)O)cs3)[nH]2)cc1
InChIInChI=1S/C14H11N3O3S/c1-8-2-4-9(5-3-8)10-6-12(18)17(16-10)14-15-11(7-21-14)13(19)20/h2-7,16H,1H3,(H,19,20)
InChIKeyOOAKSGFAIBUWRP-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.30
Rot. Bonds3

About 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid

2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 156568345) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID156568345
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(-c2cc(=O)n(-c3nc(C(=O)O)cs3)[nH]2)cc1
InChIInChI=1S/C14H11N3O3S/c1-8-2-4-9(5-3-8)10-6-12(18)17(16-10)14-15-11(7-21-14)13(19)20/h2-7,16H,1H3,(H,19,20)
InChIKeyOOAKSGFAIBUWRP-UHFFFAOYSA-N
XLogP2.30
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,6-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461845
2-[5-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461805
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-1H-pyrazol-3-one
CID 2841624
2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271418
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-morpholin-4-ylethyl 2-[5-(3,4-difluorophenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylate
CID 121461619
2-[3-(cyclopropylmethyl)-4-[(4-methylphenyl)methyl]-5-[3-(4-methylphenyl)phenyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 166971238
5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 168995154
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568097
2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 158102003
amino-[4-[[1-(4-carboxy-1,3-thiazol-2-yl)-3-(cyclopropylmethyl)-5-[3-(4-methylphenyl)phenyl]pyrazol-4-yl]methyl]phenyl]-hydroxysulfanium
CID 145116572
2-[5-methyl-3-oxo-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid
CID 121461782

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid (CID 156568345) is 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(-c2cc(=O)n(-c3nc(C(=O)O)cs3)[nH]2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OOAKSGFAIBUWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8-2-4-9(5-3-8)10-6-12(18)17(16-10)14-15-11(7-21-14)13(19)20/h2-7,16H,1H3,(H,19,20).
What are the key properties of 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 301.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 156568345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).