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

C12H10ClN5O — CID 64528488

IUPAC5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(Cc3ccccc3Cl)no2)[nH]n1
InChIInChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)5-11-15-12(19-18-11)9-6-10(14)17-16-9/h1-4,6H,5H2,(H3,14,16,17)
InChIKeyYEPZYOOSLOLUJP-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.29
Rot. Bonds3

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

5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 64528488) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID64528488
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(Cc3ccccc3Cl)no2)[nH]n1
InChIInChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)5-11-15-12(19-18-11)9-6-10(14)17-16-9/h1-4,6H,5H2,(H3,14,16,17)
InChIKeyYEPZYOOSLOLUJP-UHFFFAOYSA-N
XLogP2.29
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 64528488) is 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(Cc3ccccc3Cl)no2)[nH]n1.
What is the InChIKey of 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is YEPZYOOSLOLUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)5-11-15-12(19-18-11)9-6-10(14)17-16-9/h1-4,6H,5H2,(H3,14,16,17).
What are the key properties of 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 275.70 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 64528488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).