ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate

C19H25F3N2O4 — CID 4177748

IUPACethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1(NC(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C19H25F3N2O4/c1-3-28-16(26)14-11(2)24(13-7-5-4-6-8-13)17(27)18(14,19(20,21)22)23-15(25)12-9-10-12/h12-13H,3-10H2,1-2H3,(H,23,25)
InChIKeyWWJGYMXZQSOJJD-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.83
Rot. Bonds5

About ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate

ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate (PubChem CID 4177748) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
PubChem CID4177748
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Nameethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1(NC(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C19H25F3N2O4/c1-3-28-16(26)14-11(2)24(13-7-5-4-6-8-13)17(27)18(14,19(20,21)22)23-15(25)12-9-10-12/h12-13H,3-10H2,1-2H3,(H,23,25)
InChIKeyWWJGYMXZQSOJJD-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate (CID 4177748) is ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate is CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1(NC(=O)C1CC1)C(F)(F)F.
What is the InChIKey of ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
The InChIKey is WWJGYMXZQSOJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c1-3-28-16(26)14-11(2)24(13-7-5-4-6-8-13)17(27)18(14,19(20,21)22)23-15(25)12-9-10-12/h12-13H,3-10H2,1-2H3,(H,23,25).
What are the key properties of ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate?
ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate has a molecular weight of 402.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-4-(cyclopropanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate is sourced from PubChem (CID 4177748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).