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

C18H19N5O — CID 134798789

IUPAC4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccnc4ccnn34)C2)cc1
InChIInChI=1S/C18H19N5O/c1-13-2-4-14(5-3-13)18(24)21-15-8-11-22(12-15)17-7-9-19-16-6-10-20-23(16)17/h2-7,9-10,15H,8,11-12H2,1H3,(H,21,24)
InChIKeyRWHKGPCIPRFPJD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.05
Rot. Bonds3

About 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide

4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide (PubChem CID 134798789) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
PubChem CID134798789
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccnc4ccnn34)C2)cc1
InChIInChI=1S/C18H19N5O/c1-13-2-4-14(5-3-13)18(24)21-15-8-11-22(12-15)17-7-9-19-16-6-10-20-23(16)17/h2-7,9-10,15H,8,11-12H2,1H3,(H,21,24)
InChIKeyRWHKGPCIPRFPJD-UHFFFAOYSA-N
XLogP2.05
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide (CID 134798789) is 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCN(c3ccnc4ccnn34)C2)cc1.
What is the InChIKey of 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
The InChIKey is RWHKGPCIPRFPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-2-4-14(5-3-13)18(24)21-15-8-11-22(12-15)17-7-9-19-16-6-10-20-23(16)17/h2-7,9-10,15H,8,11-12H2,1H3,(H,21,24).
What are the key properties of 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide?
4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 134798789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).