1-ethyl-4-phenyl-3-phenylmethoxypyrazole

C18H18N2O — CID 174513301

IUPAC1-ethyl-4-phenyl-3-phenylmethoxypyrazole
SMILESCCn1cc(-c2ccccc2)c(OCc2ccccc2)n1
InChIInChI=1S/C18H18N2O/c1-2-20-13-17(16-11-7-4-8-12-16)18(19-20)21-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyYTBXPRIVPWTXII-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.15
Rot. Bonds5

About 1-ethyl-4-phenyl-3-phenylmethoxypyrazole

1-ethyl-4-phenyl-3-phenylmethoxypyrazole (PubChem CID 174513301) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-3-phenylmethoxypyrazole.

Molecular Properties

Compound Name1-ethyl-4-phenyl-3-phenylmethoxypyrazole
PubChem CID174513301
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-ethyl-4-phenyl-3-phenylmethoxypyrazole
SMILESCCn1cc(-c2ccccc2)c(OCc2ccccc2)n1
InChIInChI=1S/C18H18N2O/c1-2-20-13-17(16-11-7-4-8-12-16)18(19-20)21-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyYTBXPRIVPWTXII-UHFFFAOYSA-N
XLogP4.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-3-phenylmethoxypyrazole?
The IUPAC name of 1-ethyl-4-phenyl-3-phenylmethoxypyrazole (CID 174513301) is 1-ethyl-4-phenyl-3-phenylmethoxypyrazole.
What is the SMILES notation for 1-ethyl-4-phenyl-3-phenylmethoxypyrazole?
The canonical SMILES for 1-ethyl-4-phenyl-3-phenylmethoxypyrazole is CCn1cc(-c2ccccc2)c(OCc2ccccc2)n1.
What is the InChIKey of 1-ethyl-4-phenyl-3-phenylmethoxypyrazole?
The InChIKey is YTBXPRIVPWTXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-20-13-17(16-11-7-4-8-12-16)18(19-20)21-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3.
What are the key properties of 1-ethyl-4-phenyl-3-phenylmethoxypyrazole?
1-ethyl-4-phenyl-3-phenylmethoxypyrazole has a molecular weight of 278.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-3-phenylmethoxypyrazole is sourced from PubChem (CID 174513301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).