5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C12H17N5O — CID 127614454

IUPAC5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccnn2C2CCCC2)n1
InChIInChI=1S/C12H17N5O/c1-16(2)12-14-11(18-15-12)10-7-8-13-17(10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyUPURZAYMTLJHNL-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.11
Rot. Bonds3

About 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 127614454) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID127614454
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccnn2C2CCCC2)n1
InChIInChI=1S/C12H17N5O/c1-16(2)12-14-11(18-15-12)10-7-8-13-17(10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyUPURZAYMTLJHNL-UHFFFAOYSA-N
XLogP2.11
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 127614454) is 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2ccnn2C2CCCC2)n1.
What is the InChIKey of 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is UPURZAYMTLJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-16(2)12-14-11(18-15-12)10-7-8-13-17(10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylpyrazol-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 127614454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).