5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid

C13H15N3O3S — CID 115991451

IUPAC5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H15N3O3S/c1-3-9-8(7-16(2)15-9)6-14-12(17)10-4-5-11(20-10)13(18)19/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyWDNPFEZDSKAZQG-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.67
Rot. Bonds5

About 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid

5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 115991451) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID115991451
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H15N3O3S/c1-3-9-8(7-16(2)15-9)6-14-12(17)10-4-5-11(20-10)13(18)19/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyWDNPFEZDSKAZQG-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylthiophene-2-carboxamide
CID 112550092
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107034233
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103896434
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072426
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 115888739

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid (CID 115991451) is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid is CCc1nn(C)cc1CNC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is WDNPFEZDSKAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-9-8(7-16(2)15-9)6-14-12(17)10-4-5-11(20-10)13(18)19/h4-5,7H,3,6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115991451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).