1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C14H21N5O — CID 120863974

IUPAC1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCCn1nc(C)c(-c2nc(C3(N)CCC3)no2)c1C
InChIInChI=1S/C14H21N5O/c1-4-8-19-10(3)11(9(2)17-19)12-16-13(18-20-12)14(15)6-5-7-14/h4-8,15H2,1-3H3
InChIKeyCNGDAWGWKFBZHW-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.30
Rot. Bonds4

About 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120863974) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120863974
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCCn1nc(C)c(-c2nc(C3(N)CCC3)no2)c1C
InChIInChI=1S/C14H21N5O/c1-4-8-19-10(3)11(9(2)17-19)12-16-13(18-20-12)14(15)6-5-7-14/h4-8,15H2,1-3H3
InChIKeyCNGDAWGWKFBZHW-UHFFFAOYSA-N
XLogP2.30
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120863974) is 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CCCn1nc(C)c(-c2nc(C3(N)CCC3)no2)c1C.
What is the InChIKey of 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is CNGDAWGWKFBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-8-19-10(3)11(9(2)17-19)12-16-13(18-20-12)14(15)6-5-7-14/h4-8,15H2,1-3H3.
What are the key properties of 1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 2.30, 4 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-propylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120863974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).