1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide

C24H27ClN4O2 — CID 37352003

IUPAC1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1C
InChIInChI=1S/C24H27ClN4O2/c1-15(2)23-20(13-26-29(23)19-11-9-18(25)10-12-19)24(31)28(5)14-22(30)27-21-8-6-7-16(3)17(21)4/h6-13,15H,14H2,1-5H3,(H,27,30)
InChIKeyBNWVLPJBFOQLDW-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.98
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 37352003) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID37352003
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1C
InChIInChI=1S/C24H27ClN4O2/c1-15(2)23-20(13-26-29(23)19-11-9-18(25)10-12-19)24(31)28(5)14-22(30)27-21-8-6-7-16(3)17(21)4/h6-13,15H,14H2,1-5H3,(H,27,30)
InChIKeyBNWVLPJBFOQLDW-UHFFFAOYSA-N
XLogP4.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 43059088
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 38742483
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
2-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119359343
1-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 55575572
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 38488734
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 31905864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2,4-dichloro-N-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27808106

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 37352003) is 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BNWVLPJBFOQLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-15(2)23-20(13-26-29(23)19-11-9-18(25)10-12-19)24(31)28(5)14-22(30)27-21-8-6-7-16(3)17(21)4/h6-13,15H,14H2,1-5H3,(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 37352003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).