4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

C15H17N3O5S — CID 19496208

IUPAC4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C15H17N3O5S/c1-4-8-6-9(15(22)23-5-2)13(24-8)17-12(19)10-7-16-18(3)11(10)14(20)21/h6-7H,4-5H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyVZHLBQCPZOLSPA-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.17
Rot. Bonds6

About 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid

4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 19496208) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID19496208
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cnn(C)c1C(=O)O
InChIInChI=1S/C15H17N3O5S/c1-4-8-6-9(15(22)23-5-2)13(24-8)17-12(19)10-7-16-18(3)11(10)14(20)21/h6-7H,4-5H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyVZHLBQCPZOLSPA-UHFFFAOYSA-N
XLogP2.17
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
1-[3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470652
ethyl 5-ethyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]thiophene-3-carboxylate
CID 51294975
ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 51152378
ethyl 5-ethyl-2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]thiophene-3-carboxylate
CID 43038803

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid (CID 19496208) is 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid is CCOC(=O)c1cc(CC)sc1NC(=O)c1cnn(C)c1C(=O)O.
What is the InChIKey of 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is VZHLBQCPZOLSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-4-8-6-9(15(22)23-5-2)13(24-8)17-12(19)10-7-16-18(3)11(10)14(20)21/h6-7H,4-5H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid?
4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19496208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).