[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine

C11H17N5O — CID 43647573

IUPAC[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCc1nnc(Cn2nc(C)c(CN)c2C)o1
InChIInChI=1S/C11H17N5O/c1-4-10-13-14-11(17-10)6-16-8(3)9(5-12)7(2)15-16/h4-6,12H2,1-3H3
InChIKeyVDGOBLWTCLUNSB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds4

About [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine

[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 43647573) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID43647573
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCc1nnc(Cn2nc(C)c(CN)c2C)o1
InChIInChI=1S/C11H17N5O/c1-4-10-13-14-11(17-10)6-16-8(3)9(5-12)7(2)15-16/h4-6,12H2,1-3H3
InChIKeyVDGOBLWTCLUNSB-UHFFFAOYSA-N
XLogP0.95
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine (CID 43647573) is [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine is CCc1nnc(Cn2nc(C)c(CN)c2C)o1.
What is the InChIKey of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is VDGOBLWTCLUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-10-13-14-11(17-10)6-16-8(3)9(5-12)7(2)15-16/h4-6,12H2,1-3H3.
What are the key properties of [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 235.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 43647573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).