2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole

C12H12N6 — CID 12595155

IUPAC2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole
SMILESCCn1nnc(-c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C12H12N6/c1-2-18-16-12(15-17-18)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKeyAJHUFOVRLSEAAM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.75
Rot. Bonds3

About 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole

2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole (PubChem CID 12595155) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole.

Molecular Properties

Compound Name2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole
PubChem CID12595155
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole
SMILESCCn1nnc(-c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C12H12N6/c1-2-18-16-12(15-17-18)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKeyAJHUFOVRLSEAAM-UHFFFAOYSA-N
XLogP1.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole?
The IUPAC name of 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole (CID 12595155) is 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole.
What is the SMILES notation for 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole?
The canonical SMILES for 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole is CCn1nnc(-c2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole?
The InChIKey is AJHUFOVRLSEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-2-18-16-12(15-17-18)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole?
2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole has a molecular weight of 240.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-phenyl-1H-pyrazol-5-yl)tetrazole is sourced from PubChem (CID 12595155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).