5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C14H15N3O3 — CID 19623720

IUPAC5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(C(=O)c1c(C(=O)O)cnn1C)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-3-17(10-7-5-4-6-8-10)13(18)12-11(14(19)20)9-15-16(12)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyVSBJSZLHFCVPEX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.78
Rot. Bonds4

About 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623720) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID19623720
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(C(=O)c1c(C(=O)O)cnn1C)c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-3-17(10-7-5-4-6-8-10)13(18)12-11(14(19)20)9-15-16(12)2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyVSBJSZLHFCVPEX-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
1-methyl-5-[methyl(phenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19623708
N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623680
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
5-[(2-ethylpyrazol-3-yl)methyl-(2-phenylethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494352
5-ethylsulfonylcarbonyl-1-methylpyrazole-4-carboxylic acid
CID 117218926
1-ethyl-3-imino-1-phenylurea
CID 70142844
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 19623720) is 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is CCN(C(=O)c1c(C(=O)O)cnn1C)c1ccccc1.
What is the InChIKey of 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is VSBJSZLHFCVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-17(10-7-5-4-6-8-10)13(18)12-11(14(19)20)9-15-16(12)2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(phenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).