N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide

C13H13F3N4O — CID 174740416

IUPACN-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N4O/c1-17-12(21)8-2-4-10(5-3-8)18-6-9-7-19-20-11(9)13(14,15)16/h2-5,7,18H,6H2,1H3,(H,17,21)(H,19,20)
InChIKeyNDCKXFQFOBSLQP-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.40
Rot. Bonds4

About N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide

N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide (PubChem CID 174740416) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
PubChem CID174740416
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cn[nH]c2C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N4O/c1-17-12(21)8-2-4-10(5-3-8)18-6-9-7-19-20-11(9)13(14,15)16/h2-5,7,18H,6H2,1H3,(H,17,21)(H,19,20)
InChIKeyNDCKXFQFOBSLQP-UHFFFAOYSA-N
XLogP2.40
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide
CID 91220940
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
methyl 4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzoate
CID 91610562
N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156701
4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide
CID 107444938
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]aniline
CID 91454135
N-methyl-4-[(2,3,4-trihydroxyphenyl)methylamino]benzamide
CID 107730574
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
CID 66133167
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide?
The IUPAC name of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide (CID 174740416) is N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide.
What is the SMILES notation for N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide?
The canonical SMILES for N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide is CNC(=O)c1ccc(NCc2cn[nH]c2C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide?
The InChIKey is NDCKXFQFOBSLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-17-12(21)8-2-4-10(5-3-8)18-6-9-7-19-20-11(9)13(14,15)16/h2-5,7,18H,6H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide?
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide has a molecular weight of 298.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide is sourced from PubChem (CID 174740416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).