1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C20H24ClN5O — CID 120852263

IUPAC1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-17(15(2)25(23-14)16-8-4-3-5-9-16)10-11-18-22-19(24-26-18)20(21)12-6-7-13-20;/h3-5,8-11H,6-7,12-13,21H2,1-2H3;1H/b11-10+;
InChIKeyMPTADLIEYFAQCC-ASTDGNLGSA-N
MW385.90 g/mol
LogP4.19
Rot. Bonds4

About 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852263) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120852263
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-17(15(2)25(23-14)16-8-4-3-5-9-16)10-11-18-22-19(24-26-18)20(21)12-6-7-13-20;/h3-5,8-11H,6-7,12-13,21H2,1-2H3;1H/b11-10+;
InChIKeyMPTADLIEYFAQCC-ASTDGNLGSA-N
XLogP4.19
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853913
1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851272
1-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858594
1-[5-[(E)-2-(2-bromophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858673
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861806
4-[(Z)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-3-methyl-5-nitro-1,2-oxazole
CID 26748369
4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-3-methyl-5-nitro-1,2-oxazole
CID 5344948
1-[5-[(E)-2-(1-benzofuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851886
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852263) is 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1nn(-c2ccccc2)c(C)c1/C=C/c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is MPTADLIEYFAQCC-ASTDGNLGSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-14-17(15(2)25(23-14)16-8-4-3-5-9-16)10-11-18-22-19(24-26-18)20(21)12-6-7-13-20;/h3-5,8-11H,6-7,12-13,21H2,1-2H3;1H/b11-10+;.
What are the key properties of 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).