1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C13H19N5O — CID 120855463

IUPAC1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC(C)n1ccc(-c2nc(C3(N)CCCC3)no2)n1
InChIInChI=1S/C13H19N5O/c1-9(2)18-8-5-10(16-18)11-15-12(17-19-11)13(14)6-3-4-7-13/h5,8-9H,3-4,6-7,14H2,1-2H3
InChIKeySLEJGMOLTMPVDQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.24
Rot. Bonds3

About 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120855463) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120855463
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC(C)n1ccc(-c2nc(C3(N)CCCC3)no2)n1
InChIInChI=1S/C13H19N5O/c1-9(2)18-8-5-10(16-18)11-15-12(17-19-11)13(14)6-3-4-7-13/h5,8-9H,3-4,6-7,14H2,1-2H3
InChIKeySLEJGMOLTMPVDQ-UHFFFAOYSA-N
XLogP2.24
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855462
1-[5-(1-methyl-5-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850853
1-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854338
1-[5-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859105
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352714
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
7-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120853321
1-(5-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 120856663
1-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854985
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;hydrochloride
CID 120861217
1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850498

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120855463) is 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CC(C)n1ccc(-c2nc(C3(N)CCCC3)no2)n1.
What is the InChIKey of 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is SLEJGMOLTMPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)18-8-5-10(16-18)11-15-12(17-19-11)13(14)6-3-4-7-13/h5,8-9H,3-4,6-7,14H2,1-2H3.
What are the key properties of 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120855463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).