3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole

C20H23N7O — CID 175266706

IUPAC3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCCn1nc(C)c(OCc2ccccc2)c1-c1nc(-c2cnn(C)c2)n(C)n1
InChIInChI=1S/C20H23N7O/c1-5-27-17(18(14(2)23-27)28-13-15-9-7-6-8-10-15)19-22-20(26(4)24-19)16-11-21-25(3)12-16/h6-12H,5,13H2,1-4H3
InChIKeyOJWSYZUSLIGKTL-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.99
Rot. Bonds6

About 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole

3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 175266706) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
PubChem CID175266706
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCCn1nc(C)c(OCc2ccccc2)c1-c1nc(-c2cnn(C)c2)n(C)n1
InChIInChI=1S/C20H23N7O/c1-5-27-17(18(14(2)23-27)28-13-15-9-7-6-8-10-15)19-22-20(26(4)24-19)16-11-21-25(3)12-16/h6-12H,5,13H2,1-4H3
InChIKeyOJWSYZUSLIGKTL-UHFFFAOYSA-N
XLogP2.99
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole (CID 175266706) is 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole is CCn1nc(C)c(OCc2ccccc2)c1-c1nc(-c2cnn(C)c2)n(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is OJWSYZUSLIGKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-5-27-17(18(14(2)23-27)28-13-15-9-7-6-8-10-15)19-22-20(26(4)24-19)16-11-21-25(3)12-16/h6-12H,5,13H2,1-4H3.
What are the key properties of 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 377.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-1-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 175266706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).