2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide

C16H15ClN4O3 — CID 90108852

IUPAC2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OC)c3)nc12
InChIInChI=1S/C16H15ClN4O3/c1-18-14(22)6-10-8-19-21-15(23)7-12(20-16(10)21)9-3-4-11(17)13(5-9)24-2/h3-5,7-8,19H,6H2,1-2H3,(H,18,22)
InChIKeyHQDHMBONHIXORU-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.64
Rot. Bonds4

About 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide

2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide (PubChem CID 90108852) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
PubChem CID90108852
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OC)c3)nc12
InChIInChI=1S/C16H15ClN4O3/c1-18-14(22)6-10-8-19-21-15(23)7-12(20-16(10)21)9-3-4-11(17)13(5-9)24-2/h3-5,7-8,19H,6H2,1-2H3,(H,18,22)
InChIKeyHQDHMBONHIXORU-UHFFFAOYSA-N
XLogP1.64
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide (CID 90108852) is 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide is CNC(=O)Cc1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OC)c3)nc12.
What is the InChIKey of 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide?
The InChIKey is HQDHMBONHIXORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-18-14(22)6-10-8-19-21-15(23)7-12(20-16(10)21)9-3-4-11(17)13(5-9)24-2/h3-5,7-8,19H,6H2,1-2H3,(H,18,22).
What are the key properties of 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide?
2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide has a molecular weight of 346.77 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 90108852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).