ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate

C23H24F3N5O3 — CID 156529552

IUPACethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)NC(=O)c2[nH]cc(C3(c4ccc(C(F)(F)F)nc4)CC3)c2C)[nH]n1
InChIInChI=1S/C23H24F3N5O3/c1-4-34-21(33)17-9-16(30-31-17)13(3)29-20(32)19-12(2)15(11-28-19)22(7-8-22)14-5-6-18(27-10-14)23(24,25)26/h5-6,9-11,13,28H,4,7-8H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyZJHMUZQRXYYUIH-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.21
Rot. Bonds7

About ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate

ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate (PubChem CID 156529552) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate
PubChem CID156529552
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Nameethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)NC(=O)c2[nH]cc(C3(c4ccc(C(F)(F)F)nc4)CC3)c2C)[nH]n1
InChIInChI=1S/C23H24F3N5O3/c1-4-34-21(33)17-9-16(30-31-17)13(3)29-20(32)19-12(2)15(11-28-19)22(7-8-22)14-5-6-18(27-10-14)23(24,25)26/h5-6,9-11,13,28H,4,7-8H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyZJHMUZQRXYYUIH-UHFFFAOYSA-N
XLogP4.21
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate (CID 156529552) is ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(C(C)NC(=O)c2[nH]cc(C3(c4ccc(C(F)(F)F)nc4)CC3)c2C)[nH]n1.
What is the InChIKey of ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate?
The InChIKey is ZJHMUZQRXYYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-4-34-21(33)17-9-16(30-31-17)13(3)29-20(32)19-12(2)15(11-28-19)22(7-8-22)14-5-6-18(27-10-14)23(24,25)26/h5-6,9-11,13,28H,4,7-8H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate?
ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate has a molecular weight of 475.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-[[3-methyl-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]-1H-pyrrole-2-carbonyl]amino]ethyl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 156529552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).