2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide

C18H18ClN5O — CID 134799717

IUPAC2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C18H18ClN5O/c19-14-3-1-2-13(10-14)11-17(25)22-15-6-9-23(12-15)18-5-7-20-16-4-8-21-24(16)18/h1-5,7-8,10,15H,6,9,11-12H2,(H,22,25)
InChIKeyWWQMOYWPGVTUAL-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.32
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide

2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide (PubChem CID 134799717) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
PubChem CID134799717
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C18H18ClN5O/c19-14-3-1-2-13(10-14)11-17(25)22-15-6-9-23(12-15)18-5-7-20-16-4-8-21-24(16)18/h1-5,7-8,10,15H,6,9,11-12H2,(H,22,25)
InChIKeyWWQMOYWPGVTUAL-UHFFFAOYSA-N
XLogP2.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide (CID 134799717) is 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide is O=C(Cc1cccc(Cl)c1)NC1CCN(c2ccnc3ccnn23)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
The InChIKey is WWQMOYWPGVTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-3-1-2-13(10-14)11-17(25)22-15-6-9-23(12-15)18-5-7-20-16-4-8-21-24(16)18/h1-5,7-8,10,15H,6,9,11-12H2,(H,22,25).
What are the key properties of 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 134799717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).