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

C12H15N5O — CID 134796689

IUPACN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C12H15N5O/c1-9(18)15-10-4-7-16(8-10)12-3-5-13-11-2-6-14-17(11)12/h2-3,5-6,10H,4,7-8H2,1H3,(H,15,18)
InChIKeyJPBHRNIHADLGGL-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.44
Rot. Bonds2

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

N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide (PubChem CID 134796689) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
PubChem CID134796689
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C12H15N5O/c1-9(18)15-10-4-7-16(8-10)12-3-5-13-11-2-6-14-17(11)12/h2-3,5-6,10H,4,7-8H2,1H3,(H,15,18)
InChIKeyJPBHRNIHADLGGL-UHFFFAOYSA-N
XLogP0.44
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide (CID 134796689) is N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide is CC(=O)NC1CCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
The InChIKey is JPBHRNIHADLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(18)15-10-4-7-16(8-10)12-3-5-13-11-2-6-14-17(11)12/h2-3,5-6,10H,4,7-8H2,1H3,(H,15,18).
What are the key properties of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide?
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 134796689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).