7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16N4O2S — CID 135814510

IUPAC7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1nn2c(C)cc(=O)[nH]c2c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H16N4O2S/c1-9-4-6-11(7-5-9)17-15(22)13-14-18-12(21)8-10(2)20(14)19-16(13)23-3/h4-8H,1-3H3,(H,17,22)(H,18,21)
InChIKeyLTRJHMAPRXVSPE-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.61
Rot. Bonds3

About 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135814510) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135814510
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1nn2c(C)cc(=O)[nH]c2c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H16N4O2S/c1-9-4-6-11(7-5-9)17-15(22)13-14-18-12(21)8-10(2)20(14)19-16(13)23-3/h4-8H,1-3H3,(H,17,22)(H,18,21)
InChIKeyLTRJHMAPRXVSPE-UHFFFAOYSA-N
XLogP2.61
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
CID 146600216
2-anilino-5-oxo-N,7-diphenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135765300
N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
CID 71470520
N-(4-methylphenyl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135491368
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 135016973
N-(4-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
3-N-(4-fluorophenyl)-6-methyl-2-N-(4-methylphenyl)-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2,3-dicarboxamide
CID 1193185
1-(2-chloro-6-oxo-1H-pyridin-4-yl)-3-(4-methylphenyl)urea
CID 171678678

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135814510) is 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CSc1nn2c(C)cc(=O)[nH]c2c1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LTRJHMAPRXVSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-4-6-11(7-5-9)17-15(22)13-14-18-12(21)8-10(2)20(14)19-16(13)23-3/h4-8H,1-3H3,(H,17,22)(H,18,21).
What are the key properties of 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135814510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).