N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide

C16H16ClN5O2 — CID 39890849

IUPACN-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c1
InChIInChI=1S/C16H16ClN5O2/c1-9-4-5-11(17)12(6-9)19-13(23)7-22-8-18-14-10(2)21(3)20-15(14)16(22)24/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyJHUWKHLHDWKLKG-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.04
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide

N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 39890849) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID39890849
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c1
InChIInChI=1S/C16H16ClN5O2/c1-9-4-5-11(17)12(6-9)19-13(23)7-22-8-18-14-10(2)21(3)20-15(14)16(22)24/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyJHUWKHLHDWKLKG-UHFFFAOYSA-N
XLogP2.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-(2,4-dimethylphenyl)acetamide
CID 39890863
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386
N-(2-chloro-4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 27373049
2-(9-chloro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 50774077
N-(2-chloro-4-methylphenyl)-2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 45030151
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932
N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869538
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide (CID 39890849) is N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide is Cc1ccc(Cl)c(NC(=O)Cn2cnc3c(C)n(C)nc3c2=O)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is JHUWKHLHDWKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9-4-5-11(17)12(6-9)19-13(23)7-22-8-18-14-10(2)21(3)20-15(14)16(22)24/h4-6,8H,7H2,1-3H3,(H,19,23).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide?
N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 39890849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).