N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C13H12F3N3O2 — CID 47835393

IUPACN-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)8-21-7-9-1-3-10(4-2-9)12(20)18-11-5-6-17-19-11/h1-6H,7-8H2,(H2,17,18,19,20)
InChIKeyFDZDIEFYEXRRLH-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.74
Rot. Bonds5

About N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 47835393) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID47835393
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)8-21-7-9-1-3-10(4-2-9)12(20)18-11-5-6-17-19-11/h1-6H,7-8H2,(H2,17,18,19,20)
InChIKeyFDZDIEFYEXRRLH-UHFFFAOYSA-N
XLogP2.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Difluoro-N-(1H-pyrazol-3-yl)benzamide
CID 59547942
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 53554031
N-(1h-pyrazol-5-yl)-2,3,4,5-tetrafluorobenz-amide
CID 12164574
N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1769302
4-(2-[3-(2-[2,2,2-Trifluoroethyl]guanidino)pyrazol-1-yl]ethoxymethyl)benzamide
CID 20202797
N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 52177675
3-Fluoro-5-iodo-4-methyl-N-1H-pyrazol-5-ylbenzamide
CID 57550766
ethyl 4-[(3-{[(2,6-difluorophenyl)carbonyl]amino}-1H-pyrazol-1-yl)methyl]-3-(trifluoromethyl)benzoate
CID 59547919
2-Fluoro-N-(1H-pyrazol-3-yl)benzamide
CID 59548000
3-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 60580066
N-(1H-Pyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 61393031
3-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393163

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 47835393) is N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(Nc1ccn[nH]1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is FDZDIEFYEXRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)8-21-7-9-1-3-10(4-2-9)12(20)18-11-5-6-17-19-11/h1-6H,7-8H2,(H2,17,18,19,20).
What are the key properties of N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 299.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 47835393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).