[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone

C25H22N2O4 — CID 14871128

IUPAC[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(-c2cc(C(=O)c3ccccc3OC)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22N2O4/c1-29-19-12-8-17(9-13-19)23-16-22(25(28)21-6-4-5-7-24(21)31-3)26-27(23)18-10-14-20(30-2)15-11-18/h4-16H,1-3H3
InChIKeyPLNDBRYXVLORNV-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.80
Rot. Bonds7

About [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone

[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone (PubChem CID 14871128) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
PubChem CID14871128
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(-c2cc(C(=O)c3ccccc3OC)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22N2O4/c1-29-19-12-8-17(9-13-19)23-16-22(25(28)21-6-4-5-7-24(21)31-3)26-27(23)18-10-14-20(30-2)15-11-18/h4-16H,1-3H3
InChIKeyPLNDBRYXVLORNV-UHFFFAOYSA-N
XLogP4.80
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (E)-3-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871149
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
(3,3-dimethylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 48521996
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 60509217

Frequently Asked Questions

What is the IUPAC name of [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone (CID 14871128) is [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone is COc1ccc(-c2cc(C(=O)c3ccccc3OC)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PLNDBRYXVLORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-19-12-8-17(9-13-19)23-16-22(25(28)21-6-4-5-7-24(21)31-3)26-27(23)18-10-14-20(30-2)15-11-18/h4-16H,1-3H3.
What are the key properties of [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone?
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone has a molecular weight of 414.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 14871128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).