1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C18H14F3N3O2 — CID 19581546

IUPAC1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-4-5-9-15(14)22-17(25)16-10-11-24(23-16)12-26-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,25)
InChIKeyNIFHCPDZJKQHLY-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.19
Rot. Bonds5

About 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 19581546) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID19581546
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-4-5-9-15(14)22-17(25)16-10-11-24(23-16)12-26-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,25)
InChIKeyNIFHCPDZJKQHLY-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19274651
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
1-[(5-phenyltetrazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19268917
N-quinolin-8-yl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 35326841
N-(2-cyanophenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265544
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325576
1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
CID 19273348
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19272389

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 19581546) is 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccn(COc2ccccc2)n1.
What is the InChIKey of 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is NIFHCPDZJKQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)14-8-4-5-9-15(14)22-17(25)16-10-11-24(23-16)12-26-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,25).
What are the key properties of 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19581546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).