2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide

C17H19ClN4O2 — CID 53023365

IUPAC2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CCn2nc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H19ClN4O2/c1-11(2)19-15(23)10-21-16-9-14(12-4-3-5-13(18)8-12)20-22(16)7-6-17(21)24/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,23)
InChIKeyUNLYYSDJZPTCPH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 53023365) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
PubChem CID53023365
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(=O)CCn2nc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C17H19ClN4O2/c1-11(2)19-15(23)10-21-16-9-14(12-4-3-5-13(18)8-12)20-22(16)7-6-17(21)24/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,23)
InChIKeyUNLYYSDJZPTCPH-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide (CID 53023365) is 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)CCn2nc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is UNLYYSDJZPTCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11(2)19-15(23)10-21-16-9-14(12-4-3-5-13(18)8-12)20-22(16)7-6-17(21)24/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,19,23).
What are the key properties of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 346.82 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53023365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).