N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide

C14H14F3N3O2 — CID 75515842

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3N3O2/c1-8-11(9(2)20-19-8)7-18-13(21)10-5-3-4-6-12(10)22-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySLIIPCCJELOVSX-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.86
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 75515842) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
PubChem CID75515842
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3N3O2/c1-8-11(9(2)20-19-8)7-18-13(21)10-5-3-4-6-12(10)22-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySLIIPCCJELOVSX-UHFFFAOYSA-N
XLogP2.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 163547227
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 166635995
N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156574687
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 70733601
[4-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]phenyl]boronic acid
CID 140784412
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146037964
ethane;N-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156804938
2-(trifluoromethoxy)-N-[[3-[5-(trifluoromethyl)-2H-pyrrol-4-yl]-1H-pyrazol-5-yl]methyl]benzamide
CID 163538527
ethane;N-[[3-(5-fluoro-2-propoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156804936
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43644812

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide (CID 75515842) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide is Cc1n[nH]c(C)c1CNC(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is SLIIPCCJELOVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-11(9(2)20-19-8)7-18-13(21)10-5-3-4-6-12(10)22-14(15,16)17/h3-6H,7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 313.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 75515842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).