4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole

C13H13N5 — CID 113301248

IUPAC4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13N5/c1-2-17-10-14-16-13(17)11-8-15-18(9-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyBDQYBGHTFPZBLM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.15
Rot. Bonds3

About 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole

4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 113301248) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
PubChem CID113301248
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13N5/c1-2-17-10-14-16-13(17)11-8-15-18(9-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyBDQYBGHTFPZBLM-UHFFFAOYSA-N
XLogP2.15
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43327138
1-phenyl-4-propylpyrazole
CID 12902534
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
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N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine
CID 115914335
5-(1,3,4-oxadiazol-2-yl)-1-[(1-phenylpyrazol-4-yl)methyl]pyridin-2-one
CID 167838278
ethyl 3-(1-phenylpyrazol-4-yl)-1H-1,2,4-triazole-5-carboxylate
CID 63381269
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
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4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylaniline
CID 62693006
N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183099

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole (CID 113301248) is 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole is CCn1cnnc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is BDQYBGHTFPZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-17-10-14-16-13(17)11-8-15-18(9-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole?
4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 239.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 113301248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).