N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C19H21N5O2S — CID 1254223

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1
InChIInChI=1S/C19H21N5O2S/c1-12-10-13(2)21-19(20-12)27-11-16(25)22-17-14(3)23(4)24(18(17)26)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyOTFASMKXSOBTAA-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.62
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 1254223) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID1254223
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1
InChIInChI=1S/C19H21N5O2S/c1-12-10-13(2)21-19(20-12)27-11-16(25)22-17-14(3)23(4)24(18(17)26)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,22,25)
InChIKeyOTFASMKXSOBTAA-UHFFFAOYSA-N
XLogP2.62
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1258994
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1887591
2-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio}-N-phenylacetamide
CID 2225054
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2474913
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2524473
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1147475
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 2342433
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2368077
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9493889
N-(2,6-difluorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-ethylamino]acetamide
CID 24819676

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 1254223) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is OTFASMKXSOBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-10-13(2)21-19(20-12)27-11-16(25)22-17-14(3)23(4)24(18(17)26)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,22,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 383.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1254223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).