1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C16H19ClN6O — CID 120861287

IUPAC1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccccn1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-2-12-11(10-19-22(12)13-6-3-4-9-18-13)14-20-15(21-23-14)16(17)7-5-8-16;/h3-4,6,9-10H,2,5,7-8,17H2,1H3;1H
InChIKeyWLKFBZITCGXLLG-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.64
Rot. Bonds4

About 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120861287) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120861287
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccccn1.Cl
InChIInChI=1S/C16H18N6O.ClH/c1-2-12-11(10-19-22(12)13-6-3-4-9-18-13)14-20-15(21-23-14)16(17)7-5-8-16;/h3-4,6,9-10H,2,5,7-8,17H2,1H3;1H
InChIKeyWLKFBZITCGXLLG-UHFFFAOYSA-N
XLogP2.64
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858902
1-[5-(1-benzyl-5-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851448
1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866933
1-[5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852333
1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863453
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634
1-[5-(5-cyclopropyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854271
1-[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352936
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 102811165

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]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120861287) is 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1ccccn1.Cl.
What is the InChIKey of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is WLKFBZITCGXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.ClH/c1-2-12-11(10-19-22(12)13-6-3-4-9-18-13)14-20-15(21-23-14)16(17)7-5-8-16;/h3-4,6,9-10H,2,5,7-8,17H2,1H3;1H.
What are the key properties of 1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 346.82 g/mol, XLogP of 2.64, 4 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]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120861287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).