N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

C21H25N5O — CID 134796592

IUPACN-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C21H25N5O/c27-21(23-12-4-8-17-6-2-1-3-7-17)18-9-5-15-25(16-18)20-11-13-22-19-10-14-24-26(19)20/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-16H2,(H,23,27)
InChIKeyPRFPFOPVDZPIIB-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.69
Rot. Bonds6

About N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide

N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (PubChem CID 134796592) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
PubChem CID134796592
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C21H25N5O/c27-21(23-12-4-8-17-6-2-1-3-7-17)18-9-5-15-25(16-18)20-11-13-22-19-10-14-24-26(19)20/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-16H2,(H,23,27)
InChIKeyPRFPFOPVDZPIIB-UHFFFAOYSA-N
XLogP2.69
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42654286
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134799593
(4-ethylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134798658
N-(3-phenylpropyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 42653585
(3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92877305
(3S)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92678856
1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53085654

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide (CID 134796592) is N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
The InChIKey is PRFPFOPVDZPIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-21(23-12-4-8-17-6-2-1-3-7-17)18-9-5-15-25(16-18)20-11-13-22-19-10-14-24-26(19)20/h1-3,6-7,10-11,13-14,18H,4-5,8-9,12,15-16H2,(H,23,27).
What are the key properties of N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide?
N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134796592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).