3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide

C17H20N6O3 — CID 70772071

IUPAC3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCCc2noc(C3CCCO3)n2)[nH]n1
InChIInChI=1S/C17H20N6O3/c1-23-8-2-4-13(23)11-10-12(21-20-11)16(24)18-7-6-15-19-17(26-22-15)14-5-3-9-25-14/h2,4,8,10,14H,3,5-7,9H2,1H3,(H,18,24)(H,20,21)
InChIKeySAAFNANXHQCTKQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.62
Rot. Bonds6

About 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide

3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 70772071) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID70772071
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCCc2noc(C3CCCO3)n2)[nH]n1
InChIInChI=1S/C17H20N6O3/c1-23-8-2-4-13(23)11-10-12(21-20-11)16(24)18-7-6-15-19-17(26-22-15)14-5-3-9-25-14/h2,4,8,10,14H,3,5-7,9H2,1H3,(H,18,24)(H,20,21)
InChIKeySAAFNANXHQCTKQ-UHFFFAOYSA-N
XLogP1.62
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935155
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 99973390
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
4-morpholin-4-yl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 124853323
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 172659304
N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936713
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99936714

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 70772071) is 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NCCc2noc(C3CCCO3)n2)[nH]n1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SAAFNANXHQCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-23-8-2-4-13(23)11-10-12(21-20-11)16(24)18-7-6-15-19-17(26-22-15)14-5-3-9-25-14/h2,4,8,10,14H,3,5-7,9H2,1H3,(H,18,24)(H,20,21).
What are the key properties of 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70772071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).