N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H17F3N4O2 — CID 16613872

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-28-17-7-6-15(11-24-17)18(27)23-9-8-14-10-25-26(12-14)16-4-2-1-3-5-16/h1-7,10-12H,8-9,13H2,(H,23,27)
InChIKeySJUWKKBNDWVYOW-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 16613872) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID16613872
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)13-28-17-7-6-15(11-24-17)18(27)23-9-8-14-10-25-26(12-14)16-4-2-1-3-5-16/h1-7,10-12H,8-9,13H2,(H,23,27)
InChIKeySJUWKKBNDWVYOW-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24603270
2-(2-tert-butylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000816
tert-butyl N-[3-[2-(1-phenylpyrazol-4-yl)ethylcarbamoyl]phenyl]carbamate
CID 55504999

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 16613872) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is SJUWKKBNDWVYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)13-28-17-7-6-15(11-24-17)18(27)23-9-8-14-10-25-26(12-14)16-4-2-1-3-5-16/h1-7,10-12H,8-9,13H2,(H,23,27).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 16613872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).