N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H21F3N4O — CID 74236464

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1
InChIInChI=1S/C17H21F3N4O/c1-11-5-7-12(8-6-11)14(23(2)3)10-21-16(25)13-9-15(17(18,19)20)22-24(13)4/h5-9,14H,10H2,1-4H3,(H,21,25)
InChIKeyZYSYVMNKWAHSAQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 74236464) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID74236464
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1
InChIInChI=1S/C17H21F3N4O/c1-11-5-7-12(8-6-11)14(23(2)3)10-21-16(25)13-9-15(17(18,19)20)22-24(13)4/h5-9,14H,10H2,1-4H3,(H,21,25)
InChIKeyZYSYVMNKWAHSAQ-UHFFFAOYSA-N
XLogP2.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70752326
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 47082065
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125178998
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70762626
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
1-methyl-N-(3-methyl-2-methylidenebut-3-enyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177051225
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 97342015
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 94219164
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 74236464) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1ccc(C(CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZYSYVMNKWAHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-11-5-7-12(8-6-11)14(23(2)3)10-21-16(25)13-9-15(17(18,19)20)22-24(13)4/h5-9,14H,10H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 74236464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).