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

C12H10ClN5O — CID 167972533

IUPAC[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1
InChIInChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)9-5-10(17-16-9)12-15-11(6-14)18-19-12/h1-5H,6,14H2,(H,16,17)
InChIKeyPPBSOZDFDWCVOB-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.24
Rot. Bonds3

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

[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 167972533) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID167972533
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1
InChIInChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)9-5-10(17-16-9)12-15-11(6-14)18-19-12/h1-5H,6,14H2,(H,16,17)
InChIKeyPPBSOZDFDWCVOB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 167972533) is [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2cc(-c3ccccc3Cl)n[nH]2)n1.
What is the InChIKey of [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is PPBSOZDFDWCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-8-4-2-1-3-7(8)9-5-10(17-16-9)12-15-11(6-14)18-19-12/h1-5H,6,14H2,(H,16,17).
What are the key properties of [5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 275.70 g/mol, XLogP of 2.24, 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)-1H-pyrazol-5-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 167972533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).