1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

C24H20Cl4N4O — CID 24768469

IUPAC1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(25)11-20(21)28)23(33)29-12-16-6-8-18(26)19(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
InChIKeyKZNXVRTZOQUIBX-UHFFFAOYSA-N
MW522.26 g/mol
LogP7.13
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 24768469) has the molecular formula C24H20Cl4N4O and a molecular weight of 522.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
PubChem CID24768469
Molecular FormulaC24H20Cl4N4O
Molecular Weight522.26 g/mol
Exact Mass520.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(25)11-20(21)28)23(33)29-12-16-6-8-18(26)19(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
InChIKeyKZNXVRTZOQUIBX-UHFFFAOYSA-N
XLogP7.13
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.26
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (CID 24768469) is 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is KZNXVRTZOQUIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(25)11-20(21)28)23(33)29-12-16-6-8-18(26)19(27)10-16/h4-11H,12H2,1-3H3,(H,29,33).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 522.26 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24768469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).