1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H20FN5O — CID 120851272

IUPAC1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H20FN5O/c1-11-15(12(2)24(22-11)14-7-5-13(19)6-8-14)16-21-17(23-25-16)18(20)9-3-4-10-18/h5-8H,3-4,9-10,20H2,1-2H3
InChIKeyUFBCFNJVDRPRNO-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.41
Rot. Bonds3

About 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851272) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851272
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1-c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C18H20FN5O/c1-11-15(12(2)24(22-11)14-7-5-13(19)6-8-14)16-21-17(23-25-16)18(20)9-3-4-10-18/h5-8H,3-4,9-10,20H2,1-2H3
InChIKeyUFBCFNJVDRPRNO-UHFFFAOYSA-N
XLogP3.41
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863453
1-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854338
1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854491
1-[5-[3-(4-fluorophenyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855013
1-[5-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856863
1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863974
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239
1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852263
1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857026
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851272) is 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is UFBCFNJVDRPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11-15(12(2)24(22-11)14-7-5-13(19)6-8-14)16-21-17(23-25-16)18(20)9-3-4-10-18/h5-8H,3-4,9-10,20H2,1-2H3.
What are the key properties of 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 341.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120851272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).