1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C17H28ClN5O — CID 120852375

IUPAC1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1Cc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H27N5O.ClH/c1-11(2)10-22-13(4)14(12(3)20-22)9-15-19-16(21-23-15)17(18)7-5-6-8-17;/h11H,5-10,18H2,1-4H3;1H
InChIKeyFPXCNCQGPQKEDV-UHFFFAOYSA-N
MW353.90 g/mol
LogP3.28
Rot. Bonds5

About 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852375) has the molecular formula C17H28ClN5O and a molecular weight of 353.90 g/mol. Its IUPAC name is 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120852375
Molecular FormulaC17H28ClN5O
Molecular Weight353.90 g/mol
Exact Mass353.20
IUPAC Name1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1Cc1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C17H27N5O.ClH/c1-11(2)10-22-13(4)14(12(3)20-22)9-15-19-16(21-23-15)17(18)7-5-6-8-17;/h11H,5-10,18H2,1-4H3;1H
InChIKeyFPXCNCQGPQKEDV-UHFFFAOYSA-N
XLogP3.28
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850191
1-[5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853771
1-[5-[[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859581
1-[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856305
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854491
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-[5-[2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854798
1-[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863792
1-[5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862364
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852375) is 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cc1nn(CC(C)C)c(C)c1Cc1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is FPXCNCQGPQKEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.ClH/c1-11(2)10-22-13(4)14(12(3)20-22)9-15-19-16(21-23-15)17(18)7-5-6-8-17;/h11H,5-10,18H2,1-4H3;1H.
What are the key properties of 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).