5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide

C23H19Cl3N4O — CID 143503604

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.O=CNCc1cccnc1
InChIInChI=1S/C16H11Cl3N2.C7H8N2O/c1-10-9-20-21(15-7-6-13(18)8-14(15)19)16(10)11-2-4-12(17)5-3-11;10-6-9-5-7-2-1-3-8-4-7/h2-9H,1H3;1-4,6H,5H2,(H,9,10)
InChIKeyATBBHKPGUYBETH-UHFFFAOYSA-N
MW473.79 g/mol
LogP6.14
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide (PubChem CID 143503604) has the molecular formula C23H19Cl3N4O and a molecular weight of 473.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide
PubChem CID143503604
Molecular FormulaC23H19Cl3N4O
Molecular Weight473.79 g/mol
Exact Mass472.06
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide
SMILESCc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.O=CNCc1cccnc1
InChIInChI=1S/C16H11Cl3N2.C7H8N2O/c1-10-9-20-21(15-7-6-13(18)8-14(15)19)16(10)11-2-4-12(17)5-3-11;10-6-9-5-7-2-1-3-8-4-7/h2-9H,1H3;1-4,6H,5H2,(H,9,10)
InChIKeyATBBHKPGUYBETH-UHFFFAOYSA-N
XLogP6.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[4-[1-(2,4-dichlorophenyl)-4-methylpyrazol-5-yl]phenyl]-1-methyltetrazole
CID 71083606
1-(2,4-dichlorophenyl)-5-(3,5-difluoro-4-phenylmethoxyphenyl)-4-methylpyrazole
CID 141120916
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 162699825
N-(benzylcarbamoyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 25158723
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-N-(2-methylpropyl)-2-oxoacetamide
CID 142544561
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide (CID 143503604) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide is Cc1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.O=CNCc1cccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide?
The InChIKey is ATBBHKPGUYBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2.C7H8N2O/c1-10-9-20-21(15-7-6-13(18)8-14(15)19)16(10)11-2-4-12(17)5-3-11;10-6-9-5-7-2-1-3-8-4-7/h2-9H,1H3;1-4,6H,5H2,(H,9,10).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide has a molecular weight of 473.79 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole;N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 143503604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).