1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C17H19N5OS — CID 134799375

IUPAC1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C17H19N5OS/c23-17(19-11-14-4-2-10-24-14)13-3-1-9-21(12-13)16-6-7-18-15-5-8-20-22(15)16/h2,4-8,10,13H,1,3,9,11-12H2,(H,19,23)
InChIKeyMAAFCENPFQLHHU-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.32
Rot. Bonds4

About 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 134799375) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID134799375
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2ccnc3ccnn23)C1
InChIInChI=1S/C17H19N5OS/c23-17(19-11-14-4-2-10-24-14)13-3-1-9-21(12-13)16-6-7-18-15-5-8-20-22(15)16/h2,4-8,10,13H,1,3,9,11-12H2,(H,19,23)
InChIKeyMAAFCENPFQLHHU-UHFFFAOYSA-N
XLogP2.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 134799375) is 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(c2ccnc3ccnn23)C1.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MAAFCENPFQLHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-17(19-11-14-4-2-10-24-14)13-3-1-9-21(12-13)16-6-7-18-15-5-8-20-22(15)16/h2,4-8,10,13H,1,3,9,11-12H2,(H,19,23).
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134799375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).