N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide

C18H26N4O — CID 68753487

IUPACN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
SMILESCC(C)(C)c1c(NC(=O)CCC2CCCC2)nn2cccnc12
InChIInChI=1S/C18H26N4O/c1-18(2,3)15-16(21-22-12-6-11-19-17(15)22)20-14(23)10-9-13-7-4-5-8-13/h6,11-13H,4-5,7-10H2,1-3H3,(H,20,21,23)
InChIKeyAOVBBENWFPXWCY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.94
Rot. Bonds4

About N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide

N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide (PubChem CID 68753487) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
PubChem CID68753487
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide
SMILESCC(C)(C)c1c(NC(=O)CCC2CCCC2)nn2cccnc12
InChIInChI=1S/C18H26N4O/c1-18(2,3)15-16(21-22-12-6-11-19-17(15)22)20-14(23)10-9-13-7-4-5-8-13/h6,11-13H,4-5,7-10H2,1-3H3,(H,20,21,23)
InChIKeyAOVBBENWFPXWCY-UHFFFAOYSA-N
XLogP3.94
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide (CID 68753487) is N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide is CC(C)(C)c1c(NC(=O)CCC2CCCC2)nn2cccnc12.
What is the InChIKey of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide?
The InChIKey is AOVBBENWFPXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-18(2,3)15-16(21-22-12-6-11-19-17(15)22)20-14(23)10-9-13-7-4-5-8-13/h6,11-13H,4-5,7-10H2,1-3H3,(H,20,21,23).
What are the key properties of N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide?
N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide has a molecular weight of 314.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylpyrazolo[1,5-a]pyrimidin-2-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 68753487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).