1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C21H25N5O — CID 120852613

IUPAC1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCc1ccc(-n2nc(-c3nc(C4(N)CCCC4)no3)c3c2CCC3)cc1
InChIInChI=1S/C21H25N5O/c1-2-14-8-10-15(11-9-14)26-17-7-5-6-16(17)18(24-26)19-23-20(25-27-19)21(22)12-3-4-13-21/h8-11H,2-7,12-13,22H2,1H3
InChIKeyFWCRRQQSNDAHOP-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.70
Rot. Bonds4

About 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120852613) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120852613
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCCc1ccc(-n2nc(-c3nc(C4(N)CCCC4)no3)c3c2CCC3)cc1
InChIInChI=1S/C21H25N5O/c1-2-14-8-10-15(11-9-14)26-17-7-5-6-16(17)18(24-26)19-23-20(25-27-19)21(22)12-3-4-13-21/h8-11H,2-7,12-13,22H2,1H3
InChIKeyFWCRRQQSNDAHOP-UHFFFAOYSA-N
XLogP3.70
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861626
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole
CID 75463100
1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851272
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 102811165
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-[2-(4-ethylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850872
1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850893
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide
CID 120850419
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
N-(1-amino-2-methylpropan-2-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521670

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120852613) is 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CCc1ccc(-n2nc(-c3nc(C4(N)CCCC4)no3)c3c2CCC3)cc1.
What is the InChIKey of 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is FWCRRQQSNDAHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-14-8-10-15(11-9-14)26-17-7-5-6-16(17)18(24-26)19-23-20(25-27-19)21(22)12-3-4-13-21/h8-11H,2-7,12-13,22H2,1H3.
What are the key properties of 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 363.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120852613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).