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

C16H16N4O4 — CID 50926698

IUPACN-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C)nc23)cc1OC
InChIInChI=1S/C16H16N4O4/c1-9-6-14(21)20-15(18-9)11(8-17-20)16(22)19-10-4-5-12(23-2)13(7-10)24-3/h4-8,17H,1-3H3,(H,19,22)
InChIKeyYKTMFJOPJANBML-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.60
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926698) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926698
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C)nc23)cc1OC
InChIInChI=1S/C16H16N4O4/c1-9-6-14(21)20-15(18-9)11(8-17-20)16(22)19-10-4-5-12(23-2)13(7-10)24-3/h4-8,17H,1-3H3,(H,19,22)
InChIKeyYKTMFJOPJANBML-UHFFFAOYSA-N
XLogP1.60
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926691
3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 6484562
N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926736
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926730
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
1-(3-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927965
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926698) is N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C)nc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YKTMFJOPJANBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-9-6-14(21)20-15(18-9)11(8-17-20)16(22)19-10-4-5-12(23-2)13(7-10)24-3/h4-8,17H,1-3H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).