1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C15H15Cl2N5O — CID 167914466

IUPAC1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccn(-c3ccc(Cl)cc3Cl)n2)n1
InChIInChI=1S/C15H15Cl2N5O/c1-9(18-2)7-14-19-15(23-21-14)12-5-6-22(20-12)13-4-3-10(16)8-11(13)17/h3-6,8-9,18H,7H2,1-2H3
InChIKeyZMAOSRAPMKWEKL-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.38
Rot. Bonds5

About 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 167914466) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID167914466
Molecular FormulaC15H15Cl2N5O
Molecular Weight352.23 g/mol
Exact Mass351.07
IUPAC Name1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2ccn(-c3ccc(Cl)cc3Cl)n2)n1
InChIInChI=1S/C15H15Cl2N5O/c1-9(18-2)7-14-19-15(23-21-14)12-5-6-22(20-12)13-4-3-10(16)8-11(13)17/h3-6,8-9,18H,7H2,1-2H3
InChIKeyZMAOSRAPMKWEKL-UHFFFAOYSA-N
XLogP3.38
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 167914466) is 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2ccn(-c3ccc(Cl)cc3Cl)n2)n1.
What is the InChIKey of 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is ZMAOSRAPMKWEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c1-9(18-2)7-14-19-15(23-21-14)12-5-6-22(20-12)13-4-3-10(16)8-11(13)17/h3-6,8-9,18H,7H2,1-2H3.
What are the key properties of 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 352.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 167914466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).