5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

C8H11N3O3 — CID 19623680

IUPAC5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCCNC(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C8H11N3O3/c1-3-9-7(12)6-5(8(13)14)4-10-11(6)2/h4H,3H2,1-2H3,(H,9,12)(H,13,14)
InChIKeyQWAQKBDFIWEVGQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.13
Rot. Bonds3

About 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid

5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 19623680) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID19623680
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCCNC(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C8H11N3O3/c1-3-9-7(12)6-5(8(13)14)4-10-11(6)2/h4H,3H2,1-2H3,(H,9,12)(H,13,14)
InChIKeyQWAQKBDFIWEVGQ-UHFFFAOYSA-N
XLogP-0.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
5-ethylsulfonylcarbonyl-1-methylpyrazole-4-carboxylic acid
CID 117218926
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496057
5-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29097243
5-[(1-carboxy-3-methylsulfanylpropyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823930
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638

Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid (CID 19623680) is 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is CCNC(=O)c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is QWAQKBDFIWEVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-9-7(12)6-5(8(13)14)4-10-11(6)2/h4H,3H2,1-2H3,(H,9,12)(H,13,14).
What are the key properties of 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid?
5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19623680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).