5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole

C17H16N2O2 — CID 71602565

IUPAC5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-20-13-8-9-17(21-2)14(10-13)16-11-15(18-19-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyQJCPKYPXMLNFHZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.76
Rot. Bonds4

About 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole

5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole (PubChem CID 71602565) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
PubChem CID71602565
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C17H16N2O2/c1-20-13-8-9-17(21-2)14(10-13)16-11-15(18-19-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyQJCPKYPXMLNFHZ-UHFFFAOYSA-N
XLogP3.76
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole (CID 71602565) is 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole is COc1ccc(OC)c(-c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole?
The InChIKey is QJCPKYPXMLNFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-13-8-9-17(21-2)14(10-13)16-11-15(18-19-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole?
5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole has a molecular weight of 280.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 71602565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).