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

C14H19N5O — CID 134796252

IUPACN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide
SMILESCCCC(=O)NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C14H19N5O/c1-2-3-13(20)17-11-6-9-18(10-11)14-5-7-15-12-4-8-16-19(12)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,20)
InChIKeyXWFUCRGWSORYQI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.22
Rot. Bonds4

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

N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide (PubChem CID 134796252) 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-ylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide
PubChem CID134796252
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide
SMILESCCCC(=O)NC1CCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C14H19N5O/c1-2-3-13(20)17-11-6-9-18(10-11)14-5-7-15-12-4-8-16-19(12)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,20)
InChIKeyXWFUCRGWSORYQI-UHFFFAOYSA-N
XLogP1.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414474
N-cycloheptyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 644513
US9932325, Example 153
CID 132232486
5-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 129230006
N-pyrazolo[1,5-a]pyrimidin-3-ylacetamide
CID 172825317
N-pyrazolo[1,5-a]pyrimidin-3-ylpyrrolidine-1-carboxamide
CID 176141987
5-(2-Methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 176142030
(14R)-9-fluoro-14-methyl-2,6,11,15,19,20,23-heptazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
CID 142589535
N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide
CID 86301351
US9932325, Example 158
CID 132244727
N-[2-methyl-5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
CID 162467467
N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide?
The IUPAC name of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide (CID 134796252) is N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide?
The canonical SMILES for N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide is CCCC(=O)NC1CCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide?
The InChIKey is XWFUCRGWSORYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-3-13(20)17-11-6-9-18(10-11)14-5-7-15-12-4-8-16-19(12)14/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,20).
What are the key properties of N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide?
N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.22, 4 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)butanamide is sourced from PubChem (CID 134796252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).