N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

C16H23N5O2 — CID 134800039

IUPACN-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C16H23N5O2/c1-23-12-2-7-18-16(22)13-5-10-20(11-6-13)15-4-8-17-14-3-9-19-21(14)15/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,22)
InChIKeyYTVCQVSUOKKOSD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.10
Rot. Bonds6

About N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (PubChem CID 134800039) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
PubChem CID134800039
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C16H23N5O2/c1-23-12-2-7-18-16(22)13-5-10-20(11-6-13)15-4-8-17-14-3-9-19-21(14)15/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,22)
InChIKeyYTVCQVSUOKKOSD-UHFFFAOYSA-N
XLogP1.10
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (CID 134800039) is N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The InChIKey is YTVCQVSUOKKOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-23-12-2-7-18-16(22)13-5-10-20(11-6-13)15-4-8-17-14-3-9-19-21(14)15/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,22).
What are the key properties of N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 134800039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).