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

C14H22ClN5O — CID 120854491

IUPAC1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCn1nc(C)c(-c2nc(C3(N)CCCC3)no2)c1C.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-4-19-10(3)11(9(2)17-19)12-16-13(18-20-12)14(15)7-5-6-8-14;/h4-8,15H2,1-3H3;1H
InChIKeyRJTDWMYQNULZCC-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.72
Rot. Bonds3

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

1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120854491) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120854491
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCCn1nc(C)c(-c2nc(C3(N)CCCC3)no2)c1C.Cl
InChIInChI=1S/C14H21N5O.ClH/c1-4-19-10(3)11(9(2)17-19)12-16-13(18-20-12)14(15)7-5-6-8-14;/h4-8,15H2,1-3H3;1H
InChIKeyRJTDWMYQNULZCC-UHFFFAOYSA-N
XLogP2.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863974
1-[5-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851272
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
1-[5-(1,5-dimethylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857026
1-[5-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860215
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 102811165
1-[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855018
1-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854310
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one
CID 137031594
1-[5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854311
1-[5-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852375
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61354307

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120854491) is 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is CCn1nc(C)c(-c2nc(C3(N)CCCC3)no2)c1C.Cl.
What is the InChIKey of 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is RJTDWMYQNULZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.ClH/c1-4-19-10(3)11(9(2)17-19)12-16-13(18-20-12)14(15)7-5-6-8-14;/h4-8,15H2,1-3H3;1H.
What are the key properties of 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120854491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).