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

C17H17ClN4O3 — CID 90111244

IUPAC2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OC)c3)nc12
InChIInChI=1S/C17H17ClN4O3/c1-3-19-15(23)7-11-9-20-22-16(24)8-13(21-17(11)22)10-4-5-12(18)14(6-10)25-2/h4-6,8-9,20H,3,7H2,1-2H3,(H,19,23)
InChIKeyWCVCYHUAUXBDIK-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.03
Rot. Bonds5

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

2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide (PubChem CID 90111244) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide
PubChem CID90111244
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1c[nH]n2c(=O)cc(-c3ccc(Cl)c(OC)c3)nc12
InChIInChI=1S/C17H17ClN4O3/c1-3-19-15(23)7-11-9-20-22-16(24)8-13(21-17(11)22)10-4-5-12(18)14(6-10)25-2/h4-6,8-9,20H,3,7H2,1-2H3,(H,19,23)
InChIKeyWCVCYHUAUXBDIK-UHFFFAOYSA-N
XLogP2.03
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.03
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-ethylacetamide?
The IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide (CID 90111244) is 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide?
The canonical SMILES for 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is WCVCYHUAUXBDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-3-19-15(23)7-11-9-20-22-16(24)8-13(21-17(11)22)10-4-5-12(18)14(6-10)25-2/h4-6,8-9,20H,3,7H2,1-2H3,(H,19,23).
What are the key properties of 2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide?
2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethylacetamide has a molecular weight of 360.80 g/mol, XLogP of 2.03, 5 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-ethylacetamide is sourced from PubChem (CID 90111244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).