4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

C18H14F3N3O2 — CID 38209826

IUPAC4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-16-4-1-3-15(11-16)23-17(25)14-7-5-13(6-8-14)12-24-10-2-9-22-24/h1-11H,12H2,(H,23,25)
InChIKeyAUCCALYVPRQDQM-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.08
Rot. Bonds5

About 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide

4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38209826) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38209826
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-16-4-1-3-15(11-16)23-17(25)14-7-5-13(6-8-14)12-24-10-2-9-22-24/h1-11H,12H2,(H,23,25)
InChIKeyAUCCALYVPRQDQM-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 39041372
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26129053
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 39170149
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 35323043
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209872
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38209826) is 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is AUCCALYVPRQDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)26-16-4-1-3-15(11-16)23-17(25)14-7-5-13(6-8-14)12-24-10-2-9-22-24/h1-11H,12H2,(H,23,25).
What are the key properties of 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide?
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 361.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38209826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).