5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C19H20N2O4 — CID 91973276

IUPAC5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)18-15(11-20-21-18)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-11H,1-4H3,(H,20,21)
InChIKeyXDEMMZMSHRWEAU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.78
Rot. Bonds6

About 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 91973276) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID91973276
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]ncc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)18-15(11-20-21-18)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-11H,1-4H3,(H,20,21)
InChIKeyXDEMMZMSHRWEAU-UHFFFAOYSA-N
XLogP3.78
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 91973276) is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1ccc(-c2[nH]ncc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is XDEMMZMSHRWEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)18-15(11-20-21-18)13-9-16(23-2)19(25-4)17(10-13)24-3/h5-11H,1-4H3,(H,20,21).
What are the key properties of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 340.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 91973276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).