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

C18H18Cl2N4O — CID 50907287

IUPAC1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C
InChIInChI=1S/C18H18Cl2N4O/c1-3-8-21-17(25)16-12(2)18(23-9-4-5-10-23)24(22-16)15-7-6-13(19)11-14(15)20/h4-7,9-11H,3,8H2,1-2H3,(H,21,25)
InChIKeyGJCHIBBCHWAZCB-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.42
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 50907287) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID50907287
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C
InChIInChI=1S/C18H18Cl2N4O/c1-3-8-21-17(25)16-12(2)18(23-9-4-5-10-23)24(22-16)15-7-6-13(19)11-14(15)20/h4-7,9-11H,3,8H2,1-2H3,(H,21,25)
InChIKeyGJCHIBBCHWAZCB-UHFFFAOYSA-N
XLogP4.42
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-4-methyl-N-(2-methylbutan-2-yl)-5-pyrrol-1-ylpyrazole-3-carboxamide
CID 50907920
1-(2,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
CID 45482230
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide
CID 44588401
1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-(2-methylbutan-2-yl)pyrazole-3-carboxamide
CID 50907925
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-methylpyrazole-3-carboxamide
CID 10884669
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-methylpyrazole-3-carboxamide
CID 129010774
methyl (2S)-2-[[5-(2-chloropyrrol-1-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoate
CID 171355697
N-[2-(2-adamantylamino)ethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylpiperazin-1-yl)pyrazole-3-carboxamide
CID 162699783
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
ethyl 4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]butanoate
CID 24748275
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-triethoxysilylpropyl)pyrazole-3-carboxamide
CID 86567493

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 50907287) is 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide is CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is GJCHIBBCHWAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-3-8-21-17(25)16-12(2)18(23-9-4-5-10-23)24(22-16)15-7-6-13(19)11-14(15)20/h4-7,9-11H,3,8H2,1-2H3,(H,21,25).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-methyl-N-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 4.42, 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-propyl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 50907287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).