3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H20N6O2S — CID 135885906

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nc(C)cs3)c2C)n1
InChIInChI=1S/C17H20N6O2S/c1-9-7-15(25)20-16(18-9)23-12(4)13(11(3)22-23)5-6-14(24)21-17-19-10(2)8-26-17/h7-8H,5-6H2,1-4H3,(H,18,20,25)(H,19,21,24)
InChIKeyGWEAQSPUQGDRNL-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.22
Rot. Bonds5

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 135885906) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID135885906
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nc(C)cs3)c2C)n1
InChIInChI=1S/C17H20N6O2S/c1-9-7-15(25)20-16(18-9)23-12(4)13(11(3)22-23)5-6-14(24)21-17-19-10(2)8-26-17/h7-8H,5-6H2,1-4H3,(H,18,20,25)(H,19,21,24)
InChIKeyGWEAQSPUQGDRNL-UHFFFAOYSA-N
XLogP2.22
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(thiazol-2-yl)propanamide
CID 135885905
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 135885910
ethyl 2-(2-(3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)propanamido)thiazol-4-yl)acetate
CID 135885942
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)propanamide
CID 135885944
3-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 135892810
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 17476788
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 32867692
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 43069901
3-[2-[3-[5,7-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoylamino]-1,3-thiazol-4-yl]propanamide
CID 71912229
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 78866166

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 135885906) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3nc(C)cs3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GWEAQSPUQGDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-9-7-15(25)20-16(18-9)23-12(4)13(11(3)22-23)5-6-14(24)21-17-19-10(2)8-26-17/h7-8H,5-6H2,1-4H3,(H,18,20,25)(H,19,21,24).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 372.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 135885906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).