6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H13ClN4O3 — CID 126479547

IUPAC6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]n2c(=O)c(Cl)c(C)nc12
InChIInChI=1S/C11H13ClN4O3/c1-6-8(12)11(18)16-9(15-6)7(5-14-16)10(17)13-3-4-19-2/h5,14H,3-4H2,1-2H3,(H,13,17)
InChIKeyLUOWYXPJDNCFRF-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.36
Rot. Bonds4

About 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126479547) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126479547
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]n2c(=O)c(Cl)c(C)nc12
InChIInChI=1S/C11H13ClN4O3/c1-6-8(12)11(18)16-9(15-6)7(5-14-16)10(17)13-3-4-19-2/h5,14H,3-4H2,1-2H3,(H,13,17)
InChIKeyLUOWYXPJDNCFRF-UHFFFAOYSA-N
XLogP0.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15999038
6-[(4-fluorophenyl)methyl]-5-methyl-N-(2-morpholin-4-ylethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15996161
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-(2-methoxyethyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911216
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155406797
6-[(2,5-dichlorophenyl)methyl]-N-(2-methoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24771504
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126479547) is 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCNC(=O)c1c[nH]n2c(=O)c(Cl)c(C)nc12.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LUOWYXPJDNCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-6-8(12)11(18)16-9(15-6)7(5-14-16)10(17)13-3-4-19-2/h5,14H,3-4H2,1-2H3,(H,13,17).
What are the key properties of 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 284.70 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126479547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).