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

C18H17Cl2N5O — CID 120861626

IUPAC1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3nn(-c4ccc(Cl)cc4Cl)c4c3CCC4)n2)CCC1
InChIInChI=1S/C18H17Cl2N5O/c19-10-5-6-14(12(20)9-10)25-13-4-1-3-11(13)15(23-25)16-22-17(24-26-16)18(21)7-2-8-18/h5-6,9H,1-4,7-8,21H2
InChIKeyPSCOJZLVGZEGND-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.06
Rot. Bonds3

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

1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861626) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861626
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3nn(-c4ccc(Cl)cc4Cl)c4c3CCC4)n2)CCC1
InChIInChI=1S/C18H17Cl2N5O/c19-10-5-6-14(12(20)9-10)25-13-4-1-3-11(13)15(23-25)16-22-17(24-26-16)18(21)7-2-8-18/h5-6,9H,1-4,7-8,21H2
InChIKeyPSCOJZLVGZEGND-UHFFFAOYSA-N
XLogP4.06
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(2,4-dichlorophenyl)-N,N-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932378
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-(2,4-dichlorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932377
1-[5-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859105
1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863161
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859270
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861080

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 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) is 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3nn(-c4ccc(Cl)cc4Cl)c4c3CCC4)n2)CCC1.
What is the InChIKey of 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is PSCOJZLVGZEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c19-10-5-6-14(12(20)9-10)25-13-4-1-3-11(13)15(23-25)16-22-17(24-26-16)18(21)7-2-8-18/h5-6,9H,1-4,7-8,21H2.
What are the key properties of 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 390.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).