1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole

C15H17N5O2 — CID 166377375

IUPAC1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
SMILESCOc1ccc(Cn2nc(C)nc2-c2[nH]ncc2OC)cc1
InChIInChI=1S/C15H17N5O2/c1-10-17-15(14-13(22-3)8-16-18-14)20(19-10)9-11-4-6-12(21-2)7-5-11/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyVWXYHQAWWZAQBP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.04
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole

1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole (PubChem CID 166377375) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
PubChem CID166377375
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
SMILESCOc1ccc(Cn2nc(C)nc2-c2[nH]ncc2OC)cc1
InChIInChI=1S/C15H17N5O2/c1-10-17-15(14-13(22-3)8-16-18-14)20(19-10)9-11-4-6-12(21-2)7-5-11/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyVWXYHQAWWZAQBP-UHFFFAOYSA-N
XLogP2.04
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine
CID 175619394
7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
CID 175619385
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
3,5-dimethyl-1-[(4-propoxyphenyl)methyl]-1,2,4-triazole
CID 84592616
1-[(4-methoxyphenyl)methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 134540798
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanenitrile
CID 157400857

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole (CID 166377375) is 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole is COc1ccc(Cn2nc(C)nc2-c2[nH]ncc2OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole?
The InChIKey is VWXYHQAWWZAQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10-17-15(14-13(22-3)8-16-18-14)20(19-10)9-11-4-6-12(21-2)7-5-11/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole?
1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole has a molecular weight of 299.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 166377375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).