5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole

C13H13N5O — CID 167754188

IUPAC5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole
SMILESCOc1cnn(Cc2ncnn2-c2ccccc2)c1
InChIInChI=1S/C13H13N5O/c1-19-12-7-15-17(8-12)9-13-14-10-16-18(13)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyXUGNQPKGCIYPCH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.52
Rot. Bonds4

About 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole

5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole (PubChem CID 167754188) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole
PubChem CID167754188
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole
SMILESCOc1cnn(Cc2ncnn2-c2ccccc2)c1
InChIInChI=1S/C13H13N5O/c1-19-12-7-15-17(8-12)9-13-14-10-16-18(13)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyXUGNQPKGCIYPCH-UHFFFAOYSA-N
XLogP1.52
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70776106
CID 70776106
CID 124208239
CID 124208239
CID 131948549
CID 131948549
CID 67486291
CID 67486291
CID 89662184
CID 89662184
CID 137507465
CID 137507465
CID 138543212
CID 138543212
CID 138553776
CID 138553776
CID 174669908
CID 174669908
CID 50955118
CID 50955118
CID 56700991
CID 56700991
CID 70725904
CID 70725904

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole?
The IUPAC name of 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole (CID 167754188) is 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole?
The canonical SMILES for 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole is COc1cnn(Cc2ncnn2-c2ccccc2)c1.
What is the InChIKey of 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole?
The InChIKey is XUGNQPKGCIYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-12-7-15-17(8-12)9-13-14-10-16-18(13)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole?
5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole has a molecular weight of 255.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxypyrazol-1-yl)methyl]-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 167754188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).