N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide

C17H17N5O2S — CID 2355231

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1c(NC(=O)CSc2ncccn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H17N5O2S/c1-12-15(20-14(23)11-25-17-18-9-6-10-19-17)16(24)22(21(12)2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyUHNODAGSOMIHMD-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.01
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2355231) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2355231
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1c(NC(=O)CSc2ncccn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H17N5O2S/c1-12-15(20-14(23)11-25-17-18-9-6-10-19-17)16(24)22(21(12)2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyUHNODAGSOMIHMD-UHFFFAOYSA-N
XLogP2.01
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-{3-[(4-methylpyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}phenyl)acetamide
CID 2901805
3,3-dimethyl-4-(2-pyrimidin-2-ylsulfanylacetyl)-1H-quinoxalin-2-one
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N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24981851
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3616605
7-[(N-ethyl-4-fluoro-anilino)methyl]-2-methyl-3-pyrimidin-5-yl-thiazolo[3,2-a]pyrimidin-5-one
CID 118009634
4-Methyl-2-pyrimidinyl 2-oxo-2-(4-phenyl-1-piperazinyl)ethyl sulfide
CID 851620
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1128182
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-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 4848204
1-(4-chlorophenyl)-3-(3-isopropyl-2-methyl-5-oxo-1-(pyrimidin-5-yl)-2,5-dihydro-1H-pyrazol-4-yl)urea
CID 44413496
1-(3-isopropyl-2-methyl-5-oxo-1-(pyrimidin-5-yl)-2,5-dihydro-1H-pyrazol-4-yl)-3-(4-(methylthio)phenyl)urea
CID 44413508
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2120703

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2355231) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1c(NC(=O)CSc2ncccn2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is UHNODAGSOMIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-12-15(20-14(23)11-25-17-18-9-6-10-19-17)16(24)22(21(12)2)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.01, 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-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2355231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).