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

C11H15N5O — CID 83091641

IUPAC(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1C(N)c1noc(C2CC2)n1
InChIInChI=1S/C11H15N5O/c1-6-8(5-16(2)14-6)9(12)10-13-11(17-15-10)7-3-4-7/h5,7,9H,3-4,12H2,1-2H3
InChIKeyZYIBUZHHVLCMPM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.04
Rot. Bonds3

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

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 83091641) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID83091641
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1C(N)c1noc(C2CC2)n1
InChIInChI=1S/C11H15N5O/c1-6-8(5-16(2)14-6)9(12)10-13-11(17-15-10)7-3-4-7/h5,7,9H,3-4,12H2,1-2H3
InChIKeyZYIBUZHHVLCMPM-UHFFFAOYSA-N
XLogP1.04
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine (CID 83091641) is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine is Cc1nn(C)cc1C(N)c1noc(C2CC2)n1.
What is the InChIKey of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is ZYIBUZHHVLCMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6-8(5-16(2)14-6)9(12)10-13-11(17-15-10)7-3-4-7/h5,7,9H,3-4,12H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine?
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 83091641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).