4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole

C15H17N5O — CID 56713646

IUPAC4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
SMILESCOc1ccc(C)cc1-n1cnnc1CCn1cccn1
InChIInChI=1S/C15H17N5O/c1-12-4-5-14(21-2)13(10-12)20-11-16-18-15(20)6-9-19-8-3-7-17-19/h3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyYWVAZILNGPYKEN-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.02
Rot. Bonds5

About 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole

4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole (PubChem CID 56713646) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
PubChem CID56713646
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
SMILESCOc1ccc(C)cc1-n1cnnc1CCn1cccn1
InChIInChI=1S/C15H17N5O/c1-12-4-5-14(21-2)13(10-12)20-11-16-18-15(20)6-9-19-8-3-7-17-19/h3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyYWVAZILNGPYKEN-UHFFFAOYSA-N
XLogP2.02
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)pyrrol-2-yl]ethanamine
CID 82288882
2-[3-(3-ethyl-1,2,4-triazol-4-yl)-4-methoxyphenyl]acetic acid
CID 82514233
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
[5-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]boronic acid
CID 54962304
2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
CID 59127390
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111389091
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
4-methoxy-3-(3-pyrazol-1-ylpropoxy)benzaldehyde
CID 167995690
3-(bromomethyl)-1-(2-methoxy-5-methylphenyl)pyrazole
CID 84617523
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
1-(2-methoxy-5-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895459

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole (CID 56713646) is 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole is COc1ccc(C)cc1-n1cnnc1CCn1cccn1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The InChIKey is YWVAZILNGPYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-12-4-5-14(21-2)13(10-12)20-11-16-18-15(20)6-9-19-8-3-7-17-19/h3-5,7-8,10-11H,6,9H2,1-2H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole has a molecular weight of 283.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 56713646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).