ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate

C16H17F3N4O3 — CID 126482680

IUPACethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1
InChIInChI=1S/C16H17F3N4O3/c1-2-26-15(24)12-10-21-23(14(12)22-5-7-25-8-6-22)11-3-4-13(20-9-11)16(17,18)19/h3-4,9-10H,2,5-8H2,1H3
InChIKeySLGFLHGNNAMFQH-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.30
Rot. Bonds4

About ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate

ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate (PubChem CID 126482680) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate
PubChem CID126482680
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Nameethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1
InChIInChI=1S/C16H17F3N4O3/c1-2-26-15(24)12-10-21-23(14(12)22-5-7-25-8-6-22)11-3-4-13(20-9-11)16(17,18)19/h3-4,9-10H,2,5-8H2,1H3
InChIKeySLGFLHGNNAMFQH-UHFFFAOYSA-N
XLogP2.30
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate (CID 126482680) is ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1.
What is the InChIKey of ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is SLGFLHGNNAMFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-2-26-15(24)12-10-21-23(14(12)22-5-7-25-8-6-22)11-3-4-13(20-9-11)16(17,18)19/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate?
ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 370.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 126482680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).