N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide

C14H19N5O — CID 134799931

IUPACN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
SMILESCCC(=O)NC1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C14H19N5O/c1-2-13(20)17-11-4-3-9-18(10-11)14-6-7-15-12-5-8-16-19(12)14/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeySQYQKLQPJUOBHA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.22
Rot. Bonds3

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

N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide (PubChem CID 134799931) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
PubChem CID134799931
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
SMILESCCC(=O)NC1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C14H19N5O/c1-2-13(20)17-11-4-3-9-18(10-11)14-6-7-15-12-5-8-16-19(12)14/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeySQYQKLQPJUOBHA-UHFFFAOYSA-N
XLogP1.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.22
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-ylpiperidin-3-yl)propanamide?
The IUPAC name of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide (CID 134799931) is N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide?
The canonical SMILES for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide is CCC(=O)NC1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide?
The InChIKey is SQYQKLQPJUOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-13(20)17-11-4-3-9-18(10-11)14-6-7-15-12-5-8-16-19(12)14/h5-8,11H,2-4,9-10H2,1H3,(H,17,20).
What are the key properties of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide?
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.22, 3 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-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 134799931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).