N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C15H14ClN5O2 — CID 17416732

IUPACN-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl
InChIInChI=1S/C15H14ClN5O2/c1-9-3-4-10(5-12(9)16)19-13(22)7-21-8-17-14-11(15(21)23)6-18-20(14)2/h3-6,8H,7H2,1-2H3,(H,19,22)
InChIKeyKEOVXJSTEWRBCQ-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.73
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17416732) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17416732
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl
InChIInChI=1S/C15H14ClN5O2/c1-9-3-4-10(5-12(9)16)19-13(22)7-21-8-17-14-11(15(21)23)6-18-20(14)2/h3-6,8H,7H2,1-2H3,(H,19,22)
InChIKeyKEOVXJSTEWRBCQ-UHFFFAOYSA-N
XLogP1.73
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
N-[4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24618274
N-(4-bromophenyl)-3-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]propanamide
CID 55951076
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 78807482
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
N-[4-(3-methoxyphenyl)phenyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 46979282
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 42010194
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 51288188
2-(4-methylanilino)-N'-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]acetohydrazide
CID 55497955
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17488493

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17416732) is N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cc1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is KEOVXJSTEWRBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-9-3-4-10(5-12(9)16)19-13(22)7-21-8-17-14-11(15(21)23)6-18-20(14)2/h3-6,8H,7H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 331.76 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17416732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).