N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide

C16H18F3N3O3 — CID 56757658

IUPACN-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
SMILESCCOCCNC(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C16H18F3N3O3/c1-2-24-7-6-20-15(23)14-9-12(21-22-14)10-25-13-5-3-4-11(8-13)16(17,18)19/h3-5,8-9H,2,6-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeySXIUXBJYEVVCDY-UHFFFAOYSA-N
MW357.33 g/mol
LogP2.77
Rot. Bonds8

About N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide

N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56757658) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
PubChem CID56757658
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC NameN-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
SMILESCCOCCNC(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C16H18F3N3O3/c1-2-24-7-6-20-15(23)14-9-12(21-22-14)10-25-13-5-3-4-11(8-13)16(17,18)19/h3-5,8-9H,2,6-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeySXIUXBJYEVVCDY-UHFFFAOYSA-N
XLogP2.77
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 95226209
N-[(2S)-1-methoxypropan-2-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 26396732
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 31018518
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 56856200
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]quinoxaline-2-carboxamide
CID 52655302
5-[(3-methoxyphenoxy)methyl]-N-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 56756097
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide (CID 56757658) is N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide is CCOCCNC(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SXIUXBJYEVVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-2-24-7-6-20-15(23)14-9-12(21-22-14)10-25-13-5-3-4-11(8-13)16(17,18)19/h3-5,8-9H,2,6-7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56757658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).