3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole

C24H30N2O3 — CID 175042275

IUPAC3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole
SMILESCOc1ccc(Cc2nn(C)c(C(C)(C)OC)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,29-6)23-21(15-17-7-11-19(27-4)12-8-17)22(25-26(23)3)16-18-9-13-20(28-5)14-10-18/h7-14H,15-16H2,1-6H3
InChIKeyZDGHFTHDVLLGKK-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.50
Rot. Bonds8

About 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole

3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole (PubChem CID 175042275) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole
PubChem CID175042275
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole
SMILESCOc1ccc(Cc2nn(C)c(C(C)(C)OC)c2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,29-6)23-21(15-17-7-11-19(27-4)12-8-17)22(25-26(23)3)16-18-9-13-20(28-5)14-10-18/h7-14H,15-16H2,1-6H3
InChIKeyZDGHFTHDVLLGKK-UHFFFAOYSA-N
XLogP4.50
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
4-ethyl-5-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazol-3-amine
CID 43670771
3,6-ditert-butyl-2-[(4-methoxyphenyl)methyl]pyridine
CID 71819350
1-tert-butyl-3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588157
[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475262
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
CID 71059323
2-ethyl-5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 12034000
2-butyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 15959123
8-[(4-methoxyphenyl)methyl]-6-methyl-4,5-dihydro-2H-pyrazolo[3,4-e]indazole-3-carboxylic acid
CID 110458496
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole?
The IUPAC name of 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole (CID 175042275) is 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole.
What is the SMILES notation for 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole?
The canonical SMILES for 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole is COc1ccc(Cc2nn(C)c(C(C)(C)OC)c2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole?
The InChIKey is ZDGHFTHDVLLGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,29-6)23-21(15-17-7-11-19(27-4)12-8-17)22(25-26(23)3)16-18-9-13-20(28-5)14-10-18/h7-14H,15-16H2,1-6H3.
What are the key properties of 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole?
3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole has a molecular weight of 394.52 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[(4-methoxyphenyl)methyl]-5-(2-methoxypropan-2-yl)-1-methylpyrazole is sourced from PubChem (CID 175042275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).