5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole

C14H15N5 — CID 66120543

IUPAC5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole
SMILESCCc1cc(-c2nc(-c3ccccc3)n[nH]2)n(C)n1
InChIInChI=1S/C14H15N5/c1-3-11-9-12(19(2)18-11)14-15-13(16-17-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyMMMHZLFMQWFQAR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.43
Rot. Bonds3

About 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole

5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 66120543) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole
PubChem CID66120543
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole
SMILESCCc1cc(-c2nc(-c3ccccc3)n[nH]2)n(C)n1
InChIInChI=1S/C14H15N5/c1-3-11-9-12(19(2)18-11)14-15-13(16-17-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyMMMHZLFMQWFQAR-UHFFFAOYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole (CID 66120543) is 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole is CCc1cc(-c2nc(-c3ccccc3)n[nH]2)n(C)n1.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is MMMHZLFMQWFQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-11-9-12(19(2)18-11)14-15-13(16-17-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole?
5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 253.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methylpyrazol-5-yl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 66120543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).