methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate

C19H19N3O3S — CID 155801169

IUPACmethyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1
InChIInChI=1S/C19H19N3O3S/c1-22-12-15(11-21-22)17-8-7-16(26-17)9-10-20-18(23)13-3-5-14(6-4-13)19(24)25-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
InChIKeyGQBYLYPAMMTZOW-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.91
Rot. Bonds6

About methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate

methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate (PubChem CID 155801169) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate
PubChem CID155801169
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Namemethyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1
InChIInChI=1S/C19H19N3O3S/c1-22-12-15(11-21-22)17-8-7-16(26-17)9-10-20-18(23)13-3-5-14(6-4-13)19(24)25-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
InChIKeyGQBYLYPAMMTZOW-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
CID 155981904
1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801213
methyl 4-[2-(5-acetylthiophen-2-yl)ethylcarbamoyl]benzoate
CID 91817348
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 155801253
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155801460
methyl 4-[5-(hydroxymethyl)thiophen-2-yl]benzoate
CID 66742298

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate (CID 155801169) is methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCCc2ccc(-c3cnn(C)c3)s2)cc1.
What is the InChIKey of methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate?
The InChIKey is GQBYLYPAMMTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22-12-15(11-21-22)17-8-7-16(26-17)9-10-20-18(23)13-3-5-14(6-4-13)19(24)25-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate?
methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate has a molecular weight of 369.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate is sourced from PubChem (CID 155801169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).