1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C16H20N6O — CID 120866933

IUPAC1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCc1c(-c2nc(CC(C)NC)no2)cnn1-c1ccccn1
InChIInChI=1S/C16H20N6O/c1-4-13-12(10-19-22(13)15-7-5-6-8-18-15)16-20-14(21-23-16)9-11(2)17-3/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyJQNQTEOLEFFXCT-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.03
Rot. Bonds6

About 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866933) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866933
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCc1c(-c2nc(CC(C)NC)no2)cnn1-c1ccccn1
InChIInChI=1S/C16H20N6O/c1-4-13-12(10-19-22(13)15-7-5-6-8-18-15)16-20-14(21-23-16)9-11(2)17-3/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyJQNQTEOLEFFXCT-UHFFFAOYSA-N
XLogP2.03
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866927
1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861287
N-methyl-1-[5-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866929
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 166237340
1-[5-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867390
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 120868586
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
N-methyl-1-[5-(2-propylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867452
N-methyl-1-[5-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867699
1-[5-(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867371
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866933) is 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CCc1c(-c2nc(CC(C)NC)no2)cnn1-c1ccccn1.
What is the InChIKey of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is JQNQTEOLEFFXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-13-12(10-19-22(13)15-7-5-6-8-18-15)16-20-14(21-23-16)9-11(2)17-3/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 312.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).