N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

C23H25Cl3N4O — CID 24768487

IUPACN-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C23H25Cl3N4O/c1-13-9-10-14(2)29(13)23-15(3)20(22(31)27-17-7-5-4-6-8-17)28-30(23)21-18(25)11-16(24)12-19(21)26/h9-12,17H,4-8H2,1-3H3,(H,27,31)
InChIKeyLYXKAOOQSNYNDL-UHFFFAOYSA-N
MW479.84 g/mol
LogP6.61
Rot. Bonds4

About N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (PubChem CID 24768487) has the molecular formula C23H25Cl3N4O and a molecular weight of 479.84 g/mol. Its IUPAC name is N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
PubChem CID24768487
Molecular FormulaC23H25Cl3N4O
Molecular Weight479.84 g/mol
Exact Mass478.11
IUPAC NameN-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C23H25Cl3N4O/c1-13-9-10-14(2)29(13)23-15(3)20(22(31)27-17-7-5-4-6-8-17)28-30(23)21-18(25)11-16(24)12-19(21)26/h9-12,17H,4-8H2,1-3H3,(H,27,31)
InChIKeyLYXKAOOQSNYNDL-UHFFFAOYSA-N
XLogP6.61
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768473
2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188603
1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768459
1-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768460
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768461
1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768465
1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768466
N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768467
1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 24768468
1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768469
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24768470
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768472

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (CID 24768487) is N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1c(C)ccc1C.
What is the InChIKey of N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is LYXKAOOQSNYNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N4O/c1-13-9-10-14(2)29(13)23-15(3)20(22(31)27-17-7-5-4-6-8-17)28-30(23)21-18(25)11-16(24)12-19(21)26/h9-12,17H,4-8H2,1-3H3,(H,27,31).
What are the key properties of N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 479.84 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 24768487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).