N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H23F3N4O — CID 30767127

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F3N4O/c1-15-20(13-26-29(15)19-7-5-6-17(12-19)22(23,24)25)21(30)28(4)14-16-8-10-18(11-9-16)27(2)3/h5-13H,14H2,1-4H3
InChIKeySKTQNJBKZMYFDO-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.54
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 30767127) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID30767127
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H23F3N4O/c1-15-20(13-26-29(15)19-7-5-6-17(12-19)22(23,24)25)21(30)28(4)14-16-8-10-18(11-9-16)27(2)3/h5-13H,14H2,1-4H3
InChIKeySKTQNJBKZMYFDO-UHFFFAOYSA-N
XLogP4.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770
N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 78850481
N-ethyl-5-methyl-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55513631
2-methyl-2-[methyl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119200825
N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 43058783
N-(1-ethylpiperidin-4-yl)-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86989029
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 71908614

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 30767127) is N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is SKTQNJBKZMYFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-15-20(13-26-29(15)19-7-5-6-17(12-19)22(23,24)25)21(30)28(4)14-16-8-10-18(11-9-16)27(2)3/h5-13H,14H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 30767127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).