1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C17H18ClN5O — CID 120858902

IUPAC1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN5O/c1-2-14-13(10-20-23(14)12-6-3-5-11(18)9-12)15-21-16(22-24-15)17(19)7-4-8-17/h3,5-6,9-10H,2,4,7-8,19H2,1H3
InChIKeyIRNNZOARNYRAOC-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.48
Rot. Bonds4

About 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120858902) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120858902
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN5O/c1-2-14-13(10-20-23(14)12-6-3-5-11(18)9-12)15-21-16(22-24-15)17(19)7-4-8-17/h3,5-6,9-10H,2,4,7-8,19H2,1H3
InChIKeyIRNNZOARNYRAOC-UHFFFAOYSA-N
XLogP3.48
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850498
1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850893
1-[5-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861287
1-[5-(1-benzyl-5-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851448
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
1-[5-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858892
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863453
1-[5-(5-cyclopropyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854271
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-[1-(3-propan-2-ylphenyl)-5-propyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859942
1-[5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852333

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120858902) is 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CCc1c(-c2nc(C3(N)CCC3)no2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is IRNNZOARNYRAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-2-14-13(10-20-23(14)12-6-3-5-11(18)9-12)15-21-16(22-24-15)17(19)7-4-8-17/h3,5-6,9-10H,2,4,7-8,19H2,1H3.
What are the key properties of 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 343.82 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120858902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).