1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

C13H19N5O — CID 55132350

IUPAC1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESCn1nccc1-c1nc(C2(N)CCCCCC2)no1
InChIInChI=1S/C13H19N5O/c1-18-10(6-9-15-18)11-16-12(17-19-11)13(14)7-4-2-3-5-8-13/h6,9H,2-5,7-8,14H2,1H3
InChIKeyFUDKJUHFMZBKAU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.98
Rot. Bonds2

About 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine

1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 55132350) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID55132350
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESCn1nccc1-c1nc(C2(N)CCCCCC2)no1
InChIInChI=1S/C13H19N5O/c1-18-10(6-9-15-18)11-16-12(17-19-11)13(14)7-4-2-3-5-8-13/h6,9H,2-5,7-8,14H2,1H3
InChIKeyFUDKJUHFMZBKAU-UHFFFAOYSA-N
XLogP1.98
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 55132350) is 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is Cn1nccc1-c1nc(C2(N)CCCCCC2)no1.
What is the InChIKey of 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is FUDKJUHFMZBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-10(6-9-15-18)11-16-12(17-19-11)13(14)7-4-2-3-5-8-13/h6,9H,2-5,7-8,14H2,1H3.
What are the key properties of 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 55132350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).