N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide

C23H26Cl2N4O — CID 24768470

IUPACN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
InChIKeyDFQZLKUNPFWAPK-UHFFFAOYSA-N
MW445.39 g/mol
LogP5.96
Rot. Bonds4

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

N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (PubChem CID 24768470) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
PubChem CID24768470
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC NameN-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C
InChIInChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
InChIKeyDFQZLKUNPFWAPK-UHFFFAOYSA-N
XLogP5.96
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 55.96
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
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 24768472
1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 24768474

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide (CID 24768470) is N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C.
What is the InChIKey of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
The InChIKey is DFQZLKUNPFWAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30).
What are the key properties of N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide?
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24768470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).