5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C11H8ClN5O — CID 64527311

IUPAC5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(-c3cccc(Cl)c3)no2)[nH]n1
InChIInChI=1S/C11H8ClN5O/c12-7-3-1-2-6(4-7)10-14-11(18-17-10)8-5-9(13)16-15-8/h1-5H,(H3,13,15,16)
InChIKeyOPEZPQYJQGVMRQ-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.36
Rot. Bonds2

About 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 64527311) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID64527311
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(-c3cccc(Cl)c3)no2)[nH]n1
InChIInChI=1S/C11H8ClN5O/c12-7-3-1-2-6(4-7)10-14-11(18-17-10)8-5-9(13)16-15-8/h1-5H,(H3,13,15,16)
InChIKeyOPEZPQYJQGVMRQ-UHFFFAOYSA-N
XLogP2.36
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 64527311) is 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(-c3cccc(Cl)c3)no2)[nH]n1.
What is the InChIKey of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is OPEZPQYJQGVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-7-3-1-2-6(4-7)10-14-11(18-17-10)8-5-9(13)16-15-8/h1-5H,(H3,13,15,16).
What are the key properties of 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 261.67 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 64527311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).