1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide

C20H22Cl2N4O — CID 50907920

IUPAC1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C
InChIInChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
InChIKeyGMORXCFKPPSPDS-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.20
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 50907920) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID50907920
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C
InChIInChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
InChIKeyGMORXCFKPPSPDS-UHFFFAOYSA-N
XLogP5.20
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-(2-methylbutan-2-yl)pyrazole-3-carboxamide
CID 50907925
1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide
CID 50907287
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrazole-3-carboxamide
CID 146001161
1-(2,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
CID 45482230
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-methylbutan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)pyrazole-3-carboxamide
CID 46231341
methyl (2S)-2-[[5-(2-chloropyrrol-1-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoate
CID 171355697
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(9-ethyl-9-methyldodec-11-enyl)-4-methylpyrazole-3-carboxamide
CID 166949062
ethyl 1-(3,4-dichlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxylate
CID 24822410

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 50907920) is 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide is CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is GMORXCFKPPSPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 5.20, 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)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 50907920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).