N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide

C17H13F3N4O2 — CID 146081206

IUPACN-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccn1)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)10-26-12-5-3-4-11(8-12)16(25)23-14-9-22-24-15(14)13-6-1-2-7-21-13/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyGAPWWGRARRPNRZ-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.67
Rot. Bonds5

About N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide

N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 146081206) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID146081206
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccn1)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)10-26-12-5-3-4-11(8-12)16(25)23-14-9-22-24-15(14)13-6-1-2-7-21-13/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyGAPWWGRARRPNRZ-UHFFFAOYSA-N
XLogP3.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 138989555
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
6-(ethylamino)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166397794
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
4-(pyrazol-1-ylmethyl)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 167793596
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
2-pyridin-3-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetamide
CID 166192558
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154858973
N-[6-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]-3-pyridinyl]benzamide
CID 59376314
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide (CID 146081206) is N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide is O=C(Nc1cn[nH]c1-c1ccccn1)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is GAPWWGRARRPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)10-26-12-5-3-4-11(8-12)16(25)23-14-9-22-24-15(14)13-6-1-2-7-21-13/h1-9H,10H2,(H,22,24)(H,23,25).
What are the key properties of N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 362.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 146081206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).