1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide

C17H23N3O — CID 19280747

IUPAC1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1cnn(CC)c1C)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-5-16(14-9-7-12(3)8-10-14)19-17(21)15-11-18-20(6-2)13(15)4/h7-11,16H,5-6H2,1-4H3,(H,19,21)
InChIKeyRCOYXVMGJFXMGJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds5

About 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide

1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide (PubChem CID 19280747) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
PubChem CID19280747
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
SMILESCCC(NC(=O)c1cnn(CC)c1C)c1ccc(C)cc1
InChIInChI=1S/C17H23N3O/c1-5-16(14-9-7-12(3)8-10-14)19-17(21)15-11-18-20(6-2)13(15)4/h7-11,16H,5-6H2,1-4H3,(H,19,21)
InChIKeyRCOYXVMGJFXMGJ-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 97310627
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186
6-methyl-N-[1-(4-methylphenyl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 42927620
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
N-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 99132104

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide (CID 19280747) is 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide is CCC(NC(=O)c1cnn(CC)c1C)c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide?
The InChIKey is RCOYXVMGJFXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-16(14-9-7-12(3)8-10-14)19-17(21)15-11-18-20(6-2)13(15)4/h7-11,16H,5-6H2,1-4H3,(H,19,21).
What are the key properties of 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide?
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19280747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).