1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole

C24H25ClN4O2 — CID 19586755

IUPAC1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
SMILESCOc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(OC)c3)c2C)c1
InChIInChI=1S/C24H25ClN4O2/c1-15-23(18-8-6-10-20(12-18)30-4)27-29(14-28-17(3)22(25)16(2)26-28)24(15)19-9-7-11-21(13-19)31-5/h6-13H,14H2,1-5H3
InChIKeyOZIINLBLXATSBX-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.52
Rot. Bonds6

About 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole

1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole (PubChem CID 19586755) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
PubChem CID19586755
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
SMILESCOc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(OC)c3)c2C)c1
InChIInChI=1S/C24H25ClN4O2/c1-15-23(18-8-6-10-20(12-18)30-4)27-29(14-28-17(3)22(25)16(2)26-28)24(15)19-9-7-11-21(13-19)31-5/h6-13H,14H2,1-5H3
InChIKeyOZIINLBLXATSBX-UHFFFAOYSA-N
XLogP5.52
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587480
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
CID 19587327
ethyl 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587044
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
1-[[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 17025607
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443
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
1-[(4-chloropyrazol-1-yl)methyl]-4-methyl-3,5-bis(3-methylphenyl)pyrazole
CID 19586891
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 62129687
2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine
CID 82479065

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole?
The IUPAC name of 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole (CID 19586755) is 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole is COc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(OC)c3)c2C)c1.
What is the InChIKey of 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole?
The InChIKey is OZIINLBLXATSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-15-23(18-8-6-10-20(12-18)30-4)27-29(14-28-17(3)22(25)16(2)26-28)24(15)19-9-7-11-21(13-19)31-5/h6-13H,14H2,1-5H3.
What are the key properties of 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole?
1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole has a molecular weight of 436.94 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole is sourced from PubChem (CID 19586755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).