1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone

C15H15N5O — CID 56721972

IUPAC1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone
SMILESCCn1cc(-c2nncn2-c2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C15H15N5O/c1-3-19-9-13(8-17-19)15-18-16-10-20(15)14-6-4-5-12(7-14)11(2)21/h4-10H,3H2,1-2H3
InChIKeyCAXVOEWUSBGWBF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.35
Rot. Bonds4

About 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone

1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone (PubChem CID 56721972) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone
PubChem CID56721972
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone
SMILESCCn1cc(-c2nncn2-c2cccc(C(C)=O)c2)cn1
InChIInChI=1S/C15H15N5O/c1-3-19-9-13(8-17-19)15-18-16-10-20(15)14-6-4-5-12(7-14)11(2)21/h4-10H,3H2,1-2H3
InChIKeyCAXVOEWUSBGWBF-UHFFFAOYSA-N
XLogP2.35
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone (CID 56721972) is 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone is CCn1cc(-c2nncn2-c2cccc(C(C)=O)c2)cn1.
What is the InChIKey of 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone?
The InChIKey is CAXVOEWUSBGWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-3-19-9-13(8-17-19)15-18-16-10-20(15)14-6-4-5-12(7-14)11(2)21/h4-10H,3H2,1-2H3.
What are the key properties of 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone?
1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone has a molecular weight of 281.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-ethylpyrazol-4-yl)-1,2,4-triazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 56721972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).