ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate

C15H19N3O3S — CID 87044525

IUPACethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCn2cc(C)cn2)cc1C
InChIInChI=1S/C15H19N3O3S/c1-4-21-15(20)14-11(3)7-13(22-14)17-12(19)5-6-18-9-10(2)8-16-18/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyRMHUCMCALWXVEZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.77
Rot. Bonds6

About ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate

ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate (PubChem CID 87044525) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate
PubChem CID87044525
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Nameethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCn2cc(C)cn2)cc1C
InChIInChI=1S/C15H19N3O3S/c1-4-21-15(20)14-11(3)7-13(22-14)17-12(19)5-6-18-9-10(2)8-16-18/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyRMHUCMCALWXVEZ-UHFFFAOYSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate 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

2-O-ethyl 4-O-methyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
CID 19559592
ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931
ethyl 3-methyl-5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 24569652
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 3-methyl-5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 24569527
ethyl 5-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 31903476
ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 7254718
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate (CID 87044525) is ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CCn2cc(C)cn2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate?
The InChIKey is RMHUCMCALWXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-21-15(20)14-11(3)7-13(22-14)17-12(19)5-6-18-9-10(2)8-16-18/h7-9H,4-6H2,1-3H3,(H,17,19).
What are the key properties of ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 87044525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).