1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid

C16H19N3O3 — CID 19494192

IUPAC1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
SMILESCCC(NC(=O)c1c(C(=O)O)cnn1C)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-13(11-7-5-10(2)6-8-11)18-15(20)14-12(16(21)22)9-17-19(14)3/h5-9,13H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyGDRGJMMUULBWSJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.31
Rot. Bonds5

About 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid

1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid (PubChem CID 19494192) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
PubChem CID19494192
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
SMILESCCC(NC(=O)c1c(C(=O)O)cnn1C)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-13(11-7-5-10(2)6-8-11)18-15(20)14-12(16(21)22)9-17-19(14)3/h5-9,13H,4H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyGDRGJMMUULBWSJ-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(4-methylphenyl)propyl]-4-nitropyrazole-5-carboxamide
CID 19478382
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
1-methyl-5-[(1-phenyl-3-piperidin-1-ylpropyl)carbamoyl]pyrazole-4-carboxylic acid
CID 44823926
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476113
5-[[(1R)-1-(2,4-dimethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853873
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 97310627
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
1-methyl-5-[[(1S)-1-(4-pyrrol-1-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29096037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid (CID 19494192) is 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid is CCC(NC(=O)c1c(C(=O)O)cnn1C)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is GDRGJMMUULBWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-13(11-7-5-10(2)6-8-11)18-15(20)14-12(16(21)22)9-17-19(14)3/h5-9,13H,4H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid?
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19494192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).