1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole

C24H21ClN2O2 — CID 19587327

IUPAC1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
SMILESCOc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1
InChIInChI=1S/C24H21ClN2O2/c1-16-23(17-6-4-8-21(14-17)28-2)26-27(20-12-10-19(25)11-13-20)24(16)18-7-5-9-22(15-18)29-3/h4-15H,1-3H3
InChIKeyKXZCRIGJUYKJIJ-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.19
Rot. Bonds5

About 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole

1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole (PubChem CID 19587327) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
PubChem CID19587327
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
SMILESCOc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1
InChIInChI=1S/C24H21ClN2O2/c1-16-23(17-6-4-8-21(14-17)28-2)26-27(20-12-10-19(25)11-13-20)24(16)18-7-5-9-22(15-18)29-3/h4-15H,1-3H3
InChIKeyKXZCRIGJUYKJIJ-UHFFFAOYSA-N
XLogP6.19
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 19586755
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
4-(3-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 17025036
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 40552549
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(4-chlorophenyl)-1-(3-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 139754198
1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3939472
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole (CID 19587327) is 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole is COc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole?
The InChIKey is KXZCRIGJUYKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16-23(17-6-4-8-21(14-17)28-2)26-27(20-12-10-19(25)11-13-20)24(16)18-7-5-9-22(15-18)29-3/h4-15H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole?
1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole has a molecular weight of 404.90 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole is sourced from PubChem (CID 19587327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).