3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide

C17H16ClN5O — CID 134799445

IUPAC3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(c2ccnc3ccnn23)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5O/c18-13-3-1-2-12(10-13)17(24)21-14-6-9-22(11-14)16-5-7-19-15-4-8-20-23(15)16/h1-5,7-8,10,14H,6,9,11H2,(H,21,24)
InChIKeyDSKLMBRCKHDSRM-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.39
Rot. Bonds3

About 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide

3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide (PubChem CID 134799445) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
PubChem CID134799445
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(c2ccnc3ccnn23)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5O/c18-13-3-1-2-12(10-13)17(24)21-14-6-9-22(11-14)16-5-7-19-15-4-8-20-23(15)16/h1-5,7-8,10,14H,6,9,11H2,(H,21,24)
InChIKeyDSKLMBRCKHDSRM-UHFFFAOYSA-N
XLogP2.39
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide (CID 134799445) is 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide is O=C(NC1CCN(c2ccnc3ccnn23)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
The InChIKey is DSKLMBRCKHDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-3-1-2-12(10-13)17(24)21-14-6-9-22(11-14)16-5-7-19-15-4-8-20-23(15)16/h1-5,7-8,10,14H,6,9,11H2,(H,21,24).
What are the key properties of 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide has a molecular weight of 341.80 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 134799445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).