5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide

C18H14Cl2N4O2 — CID 58810330

IUPAC5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(C(=O)NCc2ccccc2)[nH]n1
InChIInChI=1S/C18H14Cl2N4O2/c19-12-6-7-14(13(20)8-12)22-18(26)16-9-15(23-24-16)17(25)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyALMKVDFNNNMQQW-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.90
Rot. Bonds5

About 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide

5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide (PubChem CID 58810330) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide
PubChem CID58810330
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(C(=O)NCc2ccccc2)[nH]n1
InChIInChI=1S/C18H14Cl2N4O2/c19-12-6-7-14(13(20)8-12)22-18(26)16-9-15(23-24-16)17(25)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyALMKVDFNNNMQQW-UHFFFAOYSA-N
XLogP3.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-(2,4-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200683
3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4210205
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide (CID 58810330) is 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(C(=O)NCc2ccccc2)[nH]n1.
What is the InChIKey of 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide?
The InChIKey is ALMKVDFNNNMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-12-6-7-14(13(20)8-12)22-18(26)16-9-15(23-24-16)17(25)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide?
5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide has a molecular weight of 389.24 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 58810330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).