N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

C14H15F3N4O — CID 119504361

IUPACN-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCNCCNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-18-7-8-19-13(22)10-3-2-4-11(9-10)21-12(5-6-20-21)14(15,16)17/h2-6,9,18H,7-8H2,1H3,(H,19,22)
InChIKeyDRYYZACJAIJGCL-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide

N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119504361) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119504361
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC NameN-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCNCCNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4O/c1-18-7-8-19-13(22)10-3-2-4-11(9-10)21-12(5-6-20-21)14(15,16)17/h2-6,9,18H,7-8H2,1H3,(H,19,22)
InChIKeyDRYYZACJAIJGCL-UHFFFAOYSA-N
XLogP1.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.84
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-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-(2-amino-2-ethylbutyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119643925
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 166416492
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119609023
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 99703386
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119575990
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 136580010
N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
ethyl 3-cyano-3-[[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]propanoate
CID 166415900

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119504361) is N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is CNCCNC(=O)c1cccc(-n2nccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is DRYYZACJAIJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-18-7-8-19-13(22)10-3-2-4-11(9-10)21-12(5-6-20-21)14(15,16)17/h2-6,9,18H,7-8H2,1H3,(H,19,22).
What are the key properties of N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 312.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 119504361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).