N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H22F3N5O — CID 30767329

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c2C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N5O/c1-17-8-10-20(11-9-17)32-22(24(25,26)27)21(13-29-32)23(33)30(2)14-19-12-28-31(16-19)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3
InChIKeyQYSUXYPWPJTRNG-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.72
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 30767329) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID30767329
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c2C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N5O/c1-17-8-10-20(11-9-17)32-22(24(25,26)27)21(13-29-32)23(33)30(2)14-19-12-28-31(16-19)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3
InChIKeyQYSUXYPWPJTRNG-UHFFFAOYSA-N
XLogP4.72
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31963518
ethyl 1-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55650195
N-[3-[benzyl(methyl)amino]propyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46549460
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119660528
N-[(1-benzylpyrazol-4-yl)methyl]-N,6-dimethyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46650100
N-[(1-benzylpyrazol-4-yl)methyl]-5-chloro-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 31798730
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 51135316
N-[(1-benzylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30297754
N-[(4-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813931
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 30767329) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c2C(F)(F)F)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is QYSUXYPWPJTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-17-8-10-20(11-9-17)32-22(24(25,26)27)21(13-29-32)23(33)30(2)14-19-12-28-31(16-19)15-18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 453.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 30767329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).