4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole

C27H28N2O3 — CID 19586315

IUPAC4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(OC)c2)c1-c1ccc(OC)cc1
InChIInChI=1S/C27H28N2O3/c1-5-25-26(20-9-13-22(30-2)14-10-20)28-29(18-19-7-6-8-24(17-19)32-4)27(25)21-11-15-23(31-3)16-12-21/h6-17H,5,18H2,1-4H3
InChIKeyCXGBZAXJBBMZPT-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.85
Rot. Bonds8

About 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole

4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole (PubChem CID 19586315) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
PubChem CID19586315
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(OC)c2)c1-c1ccc(OC)cc1
InChIInChI=1S/C27H28N2O3/c1-5-25-26(20-9-13-22(30-2)14-10-20)28-29(18-19-7-6-8-24(17-19)32-4)27(25)21-11-15-23(31-3)16-12-21/h6-17H,5,18H2,1-4H3
InChIKeyCXGBZAXJBBMZPT-UHFFFAOYSA-N
XLogP5.85
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoate
CID 19587299
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
CID 17025240
3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 17025034
ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587517
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025723
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole (CID 19586315) is 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole is CCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(OC)c2)c1-c1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The InChIKey is CXGBZAXJBBMZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-5-25-26(20-9-13-22(30-2)14-10-20)28-29(18-19-7-6-8-24(17-19)32-4)27(25)21-11-15-23(31-3)16-12-21/h6-17H,5,18H2,1-4H3.
What are the key properties of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole has a molecular weight of 428.53 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 19586315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).