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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Related Compounds

2-(4-aminophenyl)-6-tert-butyl-1H-pyrazolo(1,5-b)(1,2,4)triazole
CID 15333433
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)aniline
CID 22493236
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
12-Cyclopentyl-10-ethyl-5-phenyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9797729
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 22493408
3-ethyl-5-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
CID 6602925
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenyl-pyrimidin-4-amine
CID 70687548
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole
CID 145966280
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(E)-(2-fluorophenyl)methylidene]-5-methyl-4H-1,2,4-triazol-4-amine
CID 9563668
6-Phenyl-5H-imidazo(1,2-b)pyrazole
CID 3076263
6-methyl-3-[4-(trifluoromethyl)phenyl]-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 2729929
1-(3-phenyl-1H-pyrazol-4-yl)-1H-1,2,4-triazole
CID 2764812

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).