1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

C15H16N6O3S — CID 19506329

IUPAC1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1c(-c2csc(NC(=O)C(C)n3ccc(C(=O)O)n3)n2)cnn1C
InChIInChI=1S/C15H16N6O3S/c1-8-10(6-16-20(8)3)12-7-25-15(17-12)18-13(22)9(2)21-5-4-11(19-21)14(23)24/h4-7,9H,1-3H3,(H,23,24)(H,17,18,22)
InChIKeyWGFKSRKCVXPUAW-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.95
Rot. Bonds5

About 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid

1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (PubChem CID 19506329) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
PubChem CID19506329
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
SMILESCc1c(-c2csc(NC(=O)C(C)n3ccc(C(=O)O)n3)n2)cnn1C
InChIInChI=1S/C15H16N6O3S/c1-8-10(6-16-20(8)3)12-7-25-15(17-12)18-13(22)9(2)21-5-4-11(19-21)14(23)24/h4-7,9H,1-3H3,(H,23,24)(H,17,18,22)
InChIKeyWGFKSRKCVXPUAW-UHFFFAOYSA-N
XLogP1.95
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485698
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)propanamide
CID 46978343
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
1-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504430
1-[1-[[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506405
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978766
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277
1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470836
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504555
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-pyrazol-1-ylpropanamide
CID 43055174
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid (CID 19506329) is 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is Cc1c(-c2csc(NC(=O)C(C)n3ccc(C(=O)O)n3)n2)cnn1C.
What is the InChIKey of 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
The InChIKey is WGFKSRKCVXPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-8-10(6-16-20(8)3)12-7-25-15(17-12)18-13(22)9(2)21-5-4-11(19-21)14(23)24/h4-7,9H,1-3H3,(H,23,24)(H,17,18,22).
What are the key properties of 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid?
1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid has a molecular weight of 360.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19506329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).