N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide

C23H25Cl2N3OS — CID 58880339

IUPACN-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@H](C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccs1
InChIInChI=1S/C23H25Cl2N3OS/c1-14-21(23(29)26-15(2)16-7-4-3-5-8-16)27-28(22(14)20-9-6-12-30-20)19-11-10-17(24)13-18(19)25/h6,9-13,15-16H,3-5,7-8H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyPIPROQFCDVJWHJ-OAHLLOKOSA-N
MW462.45 g/mol
LogP6.91
Rot. Bonds5

About N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 58880339) has the molecular formula C23H25Cl2N3OS and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID58880339
Molecular FormulaC23H25Cl2N3OS
Molecular Weight462.45 g/mol
Exact Mass461.11
IUPAC NameN-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@H](C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccs1
InChIInChI=1S/C23H25Cl2N3OS/c1-14-21(23(29)26-15(2)16-7-4-3-5-8-16)27-28(22(14)20-9-6-12-30-20)19-11-10-17(24)13-18(19)25/h6,9-13,15-16H,3-5,7-8H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyPIPROQFCDVJWHJ-OAHLLOKOSA-N
XLogP6.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-4-methyl-N-(1-phenylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 16725468
8-[(4-chlorophenyl)methylidene]-N-[(1S)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 90894699
(7E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide
CID 71047772
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 58880344
(9E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-cycloocta[d]pyrazole-3-carboxamide
CID 16660680
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
5-(4-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1R)-1-phenylethyl]pyrazole-3-carboxamide
CID 58880315
5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide
CID 159777573
methyl 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 66882799
(8E)-N-[(1S)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide;(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydrocyclohepta[d]pyrazole-3-carboxamide
CID 158238143
(7E)-N-[(1S)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-5-(3,3-dimethylbutanoyl)-7-[(4-fluorophenyl)methylidene]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 58629547
5-[5-(2-cyclopropylethynyl)thiophen-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24984020

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 58880339) is N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is Cc1c(C(=O)N[C@H](C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccs1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is PIPROQFCDVJWHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25Cl2N3OS/c1-14-21(23(29)26-15(2)16-7-4-3-5-8-16)27-28(22(14)20-9-6-12-30-20)19-11-10-17(24)13-18(19)25/h6,9-13,15-16H,3-5,7-8H2,1-2H3,(H,26,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 462.45 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-4-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 58880339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).