methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate

C18H22N4O5S — CID 19615322

IUPACmethyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)s1
InChIInChI=1S/C18H22N4O5S/c1-4-11-9-12(18(25)26-3)16(28-11)19-15(23)14-10-13(20-21(14)2)17(24)22-5-7-27-8-6-22/h9-10H,4-8H2,1-3H3,(H,19,23)
InChIKeyBLXARWPDVCYOAN-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.56
Rot. Bonds5

About methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate

methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19615322) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19615322
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Namemethyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)s1
InChIInChI=1S/C18H22N4O5S/c1-4-11-9-12(18(25)26-3)16(28-11)19-15(23)14-10-13(20-21(14)2)17(24)22-5-7-27-8-6-22/h9-10H,4-8H2,1-3H3,(H,19,23)
InChIKeyBLXARWPDVCYOAN-UHFFFAOYSA-N
XLogP1.56
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate (CID 19615322) is methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)s1.
What is the InChIKey of methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is BLXARWPDVCYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-4-11-9-12(18(25)26-3)16(28-11)19-15(23)14-10-13(20-21(14)2)17(24)22-5-7-27-8-6-22/h9-10H,4-8H2,1-3H3,(H,19,23).
What are the key properties of methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[[1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19615322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).