ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate

C18H16F3N3O3 — CID 118443048

IUPACethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
SMILESCCOC(=O)c1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12
InChIInChI=1S/C18H16F3N3O3/c1-2-26-17(25)16-14-10-24(23-15(14)7-8-22-16)9-12-3-5-13(6-4-12)27-11-18(19,20)21/h3-8,10H,2,9,11H2,1H3
InChIKeyLDVRATPFZSRCBC-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate

ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate (PubChem CID 118443048) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
PubChem CID118443048
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Nameethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
SMILESCCOC(=O)c1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12
InChIInChI=1S/C18H16F3N3O3/c1-2-26-17(25)16-14-10-24(23-15(14)7-8-22-16)9-12-3-5-13(6-4-12)27-11-18(19,20)21/h3-8,10H,2,9,11H2,1H3
InChIKeyLDVRATPFZSRCBC-UHFFFAOYSA-N
XLogP3.60
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
CID 118443040
ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
CID 118443143
N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539753
N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 150031182
2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119151
phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
CID 118443069
N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118476
N-[(2R)-2-hydroxypropyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118556
N-(2-acetamidoethyl)-2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118927
N-[(2R)-1-hydroxypropan-2-yl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 74539868
N-[(2S)-1-hydroxypropan-2-yl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119273
2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate (CID 118443048) is ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate is CCOC(=O)c1nccc2nn(Cc3ccc(OCC(F)(F)F)cc3)cc12.
What is the InChIKey of ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The InChIKey is LDVRATPFZSRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-2-26-17(25)16-14-10-24(23-15(14)7-8-22-16)9-12-3-5-13(6-4-12)27-11-18(19,20)21/h3-8,10H,2,9,11H2,1H3.
What are the key properties of ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate has a molecular weight of 379.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 118443048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).