(1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

C11H17N5O — CID 79584853

IUPAC(1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1c(C(N)c2noc(C(C)C)n2)cnn1C
InChIInChI=1S/C11H17N5O/c1-6(2)11-14-10(15-17-11)9(12)8-5-13-16(4)7(8)3/h5-6,9H,12H2,1-4H3
InChIKeyLVQDWVCKEOKGKL-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.28
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

(1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 79584853) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID79584853
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1c(C(N)c2noc(C(C)C)n2)cnn1C
InChIInChI=1S/C11H17N5O/c1-6(2)11-14-10(15-17-11)9(12)8-5-13-16(4)7(8)3/h5-6,9H,12H2,1-4H3
InChIKeyLVQDWVCKEOKGKL-UHFFFAOYSA-N
XLogP1.28
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 79584853) is (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is Cc1c(C(N)c2noc(C(C)C)n2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is LVQDWVCKEOKGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6(2)11-14-10(15-17-11)9(12)8-5-13-16(4)7(8)3/h5-6,9H,12H2,1-4H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine?
(1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 79584853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).