N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

C26H24F2N4O2 — CID 16925894

IUPACN-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)cc1
InChIInChI=1S/C26H24F2N4O2/c1-31(2)23-11-9-22(10-12-23)29-25(33)24-16-32(15-18-5-3-7-20(27)13-18)30-26(24)34-17-19-6-4-8-21(28)14-19/h3-14,16H,15,17H2,1-2H3,(H,29,33)
InChIKeyYNWKBUIMVMDJQJ-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.11
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16925894) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16925894
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC NameN-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)cc1
InChIInChI=1S/C26H24F2N4O2/c1-31(2)23-11-9-22(10-12-23)29-25(33)24-16-32(15-18-5-3-7-20(27)13-18)30-26(24)34-17-19-6-4-8-21(28)14-19/h3-14,16H,15,17H2,1-2H3,(H,29,33)
InChIKeyYNWKBUIMVMDJQJ-UHFFFAOYSA-N
XLogP5.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925880
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925775
N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925916
1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925835
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925798
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270928

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 16925894) is N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is CN(C)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is YNWKBUIMVMDJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-31(2)23-11-9-22(10-12-23)29-25(33)24-16-32(15-18-5-3-7-20(27)13-18)30-26(24)34-17-19-6-4-8-21(28)14-19/h3-14,16H,15,17H2,1-2H3,(H,29,33).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).