1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid

C10H11N3O2S — CID 62071343

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
SMILESCc1ncsc1CCn1cc(C(=O)O)cn1
InChIInChI=1S/C10H11N3O2S/c1-7-9(16-6-11-7)2-3-13-5-8(4-12-13)10(14)15/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyHFCIMWNKAOQKMU-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.59
Rot. Bonds4

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid (PubChem CID 62071343) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
PubChem CID62071343
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
SMILESCc1ncsc1CCn1cc(C(=O)O)cn1
InChIInChI=1S/C10H11N3O2S/c1-7-9(16-6-11-7)2-3-13-5-8(4-12-13)10(14)15/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyHFCIMWNKAOQKMU-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxylic acid
CID 62070666
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-benzylpyrazole-4-carboxylate
CID 134044519
5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 3820721
6-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 55035291
2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
CID 62582335
5-bromo-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 5161301
4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid
CID 62861060
4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
CID 82909197
2-methyl-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]propan-1-one
CID 79108638
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid (CID 62071343) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid is Cc1ncsc1CCn1cc(C(=O)O)cn1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid?
The InChIKey is HFCIMWNKAOQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7-9(16-6-11-7)2-3-13-5-8(4-12-13)10(14)15/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 62071343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).