3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole

C25H24N2O3 — CID 19587078

IUPAC3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3ccccc3OC)cc2-c2ccccc2OC)cc1
InChIInChI=1S/C25H24N2O3/c1-28-19-14-12-18(13-15-19)17-27-23(21-9-5-7-11-25(21)30-3)16-22(26-27)20-8-4-6-10-24(20)29-2/h4-16H,17H2,1-3H3
InChIKeyJDGSQGPNJJLWDB-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.29
Rot. Bonds7

About 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole

3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 19587078) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID19587078
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3ccccc3OC)cc2-c2ccccc2OC)cc1
InChIInChI=1S/C25H24N2O3/c1-28-19-14-12-18(13-15-19)17-27-23(21-9-5-7-11-25(21)30-3)16-22(26-27)20-8-4-6-10-24(20)29-2/h4-16H,17H2,1-3H3
InChIKeyJDGSQGPNJJLWDB-UHFFFAOYSA-N
XLogP5.29
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
CID 110160779
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586923
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
CID 19586867
2-[[6-[5-(2-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-1,3-benzodioxol-5-yl]oxy]acetic acid
CID 110077367
2-[2-[1-benzyl-5-(2,3-dimethoxyphenyl)pyrazol-3-yl]-3,4,5-trimethoxyphenoxy]acetic acid
CID 110077342
3-[3-(bromomethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]benzonitrile
CID 169006656
3-[4-[(3-chlorophenyl)methoxy]-3-[5-(2-methoxyphenyl)-1-(2-phenylethyl)pyrazol-3-yl]phenyl]propanoic acid
CID 129455672
1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
CID 112751510

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole (CID 19587078) is 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2nc(-c3ccccc3OC)cc2-c2ccccc2OC)cc1.
What is the InChIKey of 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is JDGSQGPNJJLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-28-19-14-12-18(13-15-19)17-27-23(21-9-5-7-11-25(21)30-3)16-22(26-27)20-8-4-6-10-24(20)29-2/h4-16H,17H2,1-3H3.
What are the key properties of 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 400.48 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 19587078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).