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

C20H22N2O4 — CID 141435682

IUPAC4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-5-26-15-8-6-13(7-9-15)16-12-21-22-19(16)14-10-17(23-2)20(25-4)18(11-14)24-3/h6-12H,5H2,1-4H3,(H,21,22)
InChIKeyILOAKJUXOPHNSC-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.17
Rot. Bonds7

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

4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 141435682) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID141435682
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-5-26-15-8-6-13(7-9-15)16-12-21-22-19(16)14-10-17(23-2)20(25-4)18(11-14)24-3/h6-12H,5H2,1-4H3,(H,21,22)
InChIKeyILOAKJUXOPHNSC-UHFFFAOYSA-N
XLogP4.17
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cct-018159
CID 984170
XN-0502
CID 46183322
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
4-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 947289
Tubulin inhibitor 1
CID 137319628
5-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435695
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
CID 2001082
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 53329390
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol
CID 945537
5-Ethoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764775

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 141435682) is 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is CCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is ILOAKJUXOPHNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-5-26-15-8-6-13(7-9-15)16-12-21-22-19(16)14-10-17(23-2)20(25-4)18(11-14)24-3/h6-12H,5H2,1-4H3,(H,21,22).
What are the key properties of 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 354.41 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 141435682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).