4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole

C20H23N7 — CID 50969247

IUPAC4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2CCc2nncn2CC)cn1
InChIInChI=1S/C20H23N7/c1-3-25-15-22-24-18(25)10-11-26-14-21-19(16-8-6-5-7-9-16)20(26)17-12-23-27(4-2)13-17/h5-9,12-15H,3-4,10-11H2,1-2H3
InChIKeyWXVFWTVDZUPKHA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.29
Rot. Bonds7

About 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole

4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole (PubChem CID 50969247) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole
PubChem CID50969247
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2CCc2nncn2CC)cn1
InChIInChI=1S/C20H23N7/c1-3-25-15-22-24-18(25)10-11-26-14-21-19(16-8-6-5-7-9-16)20(26)17-12-23-27(4-2)13-17/h5-9,12-15H,3-4,10-11H2,1-2H3
InChIKeyWXVFWTVDZUPKHA-UHFFFAOYSA-N
XLogP3.29
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole (CID 50969247) is 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole is CCn1cc(-c2c(-c3ccccc3)ncn2CCc2nncn2CC)cn1.
What is the InChIKey of 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
The InChIKey is WXVFWTVDZUPKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-3-25-15-22-24-18(25)10-11-26-14-21-19(16-8-6-5-7-9-16)20(26)17-12-23-27(4-2)13-17/h5-9,12-15H,3-4,10-11H2,1-2H3.
What are the key properties of 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole has a molecular weight of 361.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-[5-(1-ethylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 50969247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).