2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

C16H15N3O3S — CID 121457656

IUPAC2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)Oc1cccc(-c2ccn(-c3nc(C(=O)O)cs3)n2)c1
InChIInChI=1S/C16H15N3O3S/c1-10(2)22-12-5-3-4-11(8-12)13-6-7-19(18-13)16-17-14(9-23-16)15(20)21/h3-10H,1-2H3,(H,20,21)
InChIKeyFRHAAIZAAYBMFA-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.48
Rot. Bonds5

About 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 121457656) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID121457656
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)Oc1cccc(-c2ccn(-c3nc(C(=O)O)cs3)n2)c1
InChIInChI=1S/C16H15N3O3S/c1-10(2)22-12-5-3-4-11(8-12)13-6-7-19(18-13)16-17-14(9-23-16)15(20)21/h3-10H,1-2H3,(H,20,21)
InChIKeyFRHAAIZAAYBMFA-UHFFFAOYSA-N
XLogP3.48
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
2-(3-methyl-5-phenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 158102003
N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
2-[4-[(4-methylphenyl)methyl]-3-(3-phenoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 160959307
1-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
2-[4-methyl-3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44612019
2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 121457656) is 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is CC(C)Oc1cccc(-c2ccn(-c3nc(C(=O)O)cs3)n2)c1.
What is the InChIKey of 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FRHAAIZAAYBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10(2)22-12-5-3-4-11(8-12)13-6-7-19(18-13)16-17-14(9-23-16)15(20)21/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 329.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propan-2-yloxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 121457656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).