ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

C74H64F6N14O16 — CID 160963196

IUPACethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ncccc2C(F)(F)F)n1.CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ncccc2[N+](=O)[O-])n1.CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1C(F)(F)F.CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/2C19H16F3N3O3.2C18H16N4O5/c1-3-28-18(26)15-11-16(12-6-8-13(27-2)9-7-12)25(24-15)17-14(19(20,21)22)5-4-10-23-17;1-3-28-18(26)16-11-15(12-6-8-13(27-2)9-7-12)24-25(16)17-14(19(20,21)22)5-4-10-23-17;1-3-27-18(23)14-11-16(12-6-8-13(26-2)9-7-12)21(20-14)17-15(22(24)25)5-4-10-19-17;1-3-27-18(23)16-11-14(12-6-8-13(26-2)9-7-12)20-21(16)17-15(22(24)25)5-4-10-19-17/h2*4-11H,3H2,1-2H3;2*4-11H,3H2,1-2H3
InChIKeySXGRNCNLVXQLFK-UHFFFAOYSA-N
MW1519.40 g/mol
LogP14.33
Rot. Bonds22

About ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (PubChem CID 160963196) has the molecular formula C74H64F6N14O16 and a molecular weight of 1519.40 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
PubChem CID160963196
Molecular FormulaC74H64F6N14O16
Molecular Weight1519.40 g/mol
Exact Mass1518.45
IUPAC Nameethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ncccc2C(F)(F)F)n1.CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ncccc2[N+](=O)[O-])n1.CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1C(F)(F)F.CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/2C19H16F3N3O3.2C18H16N4O5/c1-3-28-18(26)15-11-16(12-6-8-13(27-2)9-7-12)25(24-15)17-14(19(20,21)22)5-4-10-23-17;1-3-28-18(26)16-11-15(12-6-8-13(27-2)9-7-12)24-25(16)17-14(19(20,21)22)5-4-10-23-17;1-3-27-18(23)14-11-16(12-6-8-13(26-2)9-7-12)21(20-14)17-15(22(24)25)5-4-10-19-17;1-3-27-18(23)16-11-14(12-6-8-13(26-2)9-7-12)20-21(16)17-15(22(24)25)5-4-10-19-17/h2*4-11H,3H2,1-2H3;2*4-11H,3H2,1-2H3
InChIKeySXGRNCNLVXQLFK-UHFFFAOYSA-N
XLogP14.33
TPSA351.24 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.40
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,2-oxazole-5-carboxylate;methyl 5-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]pyrazine-2-carboxylate
CID 158067667
Ethyl 1-methyl-4-nitropyrrole-2-carboxylate;ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pyrrole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-5-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-(5-methyl-2-pyridinyl)piperazine
CID 159185943
Ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
CID 161010586
Ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate
CID 57500787
Ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate
CID 57500788

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (CID 160963196) is ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ncccc2C(F)(F)F)n1.CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ncccc2[N+](=O)[O-])n1.CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1C(F)(F)F.CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ncccc1[N+](=O)[O-].
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The InChIKey is SXGRNCNLVXQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16F3N3O3.2C18H16N4O5/c1-3-28-18(26)15-11-16(12-6-8-13(27-2)9-7-12)25(24-15)17-14(19(20,21)22)5-4-10-23-17;1-3-28-18(26)16-11-15(12-6-8-13(27-2)9-7-12)24-25(16)17-14(19(20,21)22)5-4-10-23-17;1-3-27-18(23)14-11-16(12-6-8-13(26-2)9-7-12)21(20-14)17-15(22(24)25)5-4-10-19-17;1-3-27-18(23)16-11-14(12-6-8-13(26-2)9-7-12)20-21(16)17-15(22(24)25)5-4-10-19-17/h2*4-11H,3H2,1-2H3;2*4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate has a molecular weight of 1519.40 g/mol, XLogP of 14.33, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-(3-nitro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate;ethyl 5-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is sourced from PubChem (CID 160963196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).