4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole

C12H11N5O — CID 56706565

IUPAC4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2-c2ccn[nH]2)cc1
InChIInChI=1S/C12H11N5O/c1-18-10-4-2-9(3-5-10)17-8-14-16-12(17)11-6-7-13-15-11/h2-8H,1H3,(H,13,15)
InChIKeyWXQXULIUJXEDFU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.67
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole

4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole (PubChem CID 56706565) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
PubChem CID56706565
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
SMILESCOc1ccc(-n2cnnc2-c2ccn[nH]2)cc1
InChIInChI=1S/C12H11N5O/c1-18-10-4-2-9(3-5-10)17-8-14-16-12(17)11-6-7-13-15-11/h2-8H,1H3,(H,13,15)
InChIKeyWXQXULIUJXEDFU-UHFFFAOYSA-N
XLogP1.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 2038222
4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2433215
4-(4-methoxyphenyl)-3-tridecyl-1,2,4-triazole
CID 54071497
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115412400
4-(4-methoxyphenyl)-3-[(1R)-1-pyrazol-1-ylethyl]-1,2,4-triazole
CID 95218108
5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
CID 57232004
1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine
CID 15575691
4-(4-methoxyphenyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]-1,2,4-triazole
CID 95197300
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole (CID 56706565) is 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole is COc1ccc(-n2cnnc2-c2ccn[nH]2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
The InChIKey is WXQXULIUJXEDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-10-4-2-9(3-5-10)17-8-14-16-12(17)11-6-7-13-15-11/h2-8H,1H3,(H,13,15).
What are the key properties of 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole has a molecular weight of 241.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 56706565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).