N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

C20H23N5O2S — CID 137436400

IUPACN-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2SC)[nH]c(=O)c1CC
InChIInChI=1S/C20H23N5O2S/c1-5-13-15(6-2)21-20(23-18(13)26)25-17(11-12(3)24-25)22-19(27)14-9-7-8-10-16(14)28-4/h7-11H,5-6H2,1-4H3,(H,22,27)(H,21,23,26)
InChIKeyGSSMXZJLAXWVHC-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 137436400) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID137436400
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2SC)[nH]c(=O)c1CC
InChIInChI=1S/C20H23N5O2S/c1-5-13-15(6-2)21-20(23-18(13)26)25-17(11-12(3)24-25)22-19(27)14-9-7-8-10-16(14)28-4/h7-11H,5-6H2,1-4H3,(H,22,27)(H,21,23,26)
InChIKeyGSSMXZJLAXWVHC-UHFFFAOYSA-N
XLogP3.36
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide;N-[2-(4-ethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 159183600
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 135752996
N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 137436427
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 136636542
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551621
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 136636820
N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-ethylsulfanylbenzamide
CID 136604083
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
ethyl N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 135551754
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
2-bromo-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870137

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (CID 137436400) is N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is CCc1nc(-n2nc(C)cc2NC(=O)c2ccccc2SC)[nH]c(=O)c1CC.
What is the InChIKey of N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is GSSMXZJLAXWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-5-13-15(6-2)21-20(23-18(13)26)25-17(11-12(3)24-25)22-19(27)14-9-7-8-10-16(14)28-4/h7-11H,5-6H2,1-4H3,(H,22,27)(H,21,23,26).
What are the key properties of N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 397.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 137436400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).