chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide

C26H26ClF2N5O — CID 176995772

IUPACchlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1c(F)ccc(F)c1-c1[nH]ncc1C(=O)NCCc1cc(N(C)C)ccn1.Clc1ccccc1
InChIInChI=1S/C20H21F2N5O.C6H5Cl/c1-12-16(21)4-5-17(22)18(12)19-15(11-25-26-19)20(28)24-8-6-13-10-14(27(2)3)7-9-23-13;7-6-4-2-1-3-5-6/h4-5,7,9-11H,6,8H2,1-3H3,(H,24,28)(H,25,26);1-5H
InChIKeyMGYOGVKXWMRVHI-UHFFFAOYSA-N
MW497.98 g/mol
LogP5.44
Rot. Bonds6

About chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide

chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 176995772) has the molecular formula C26H26ClF2N5O and a molecular weight of 497.98 g/mol. Its IUPAC name is chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Namechlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID176995772
Molecular FormulaC26H26ClF2N5O
Molecular Weight497.98 g/mol
Exact Mass497.18
IUPAC Namechlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1c(F)ccc(F)c1-c1[nH]ncc1C(=O)NCCc1cc(N(C)C)ccn1.Clc1ccccc1
InChIInChI=1S/C20H21F2N5O.C6H5Cl/c1-12-16(21)4-5-17(22)18(12)19-15(11-25-26-19)20(28)24-8-6-13-10-14(27(2)3)7-9-23-13;7-6-4-2-1-3-5-6/h4-5,7,9-11H,6,8H2,1-3H3,(H,24,28)(H,25,26);1-5H
InChIKeyMGYOGVKXWMRVHI-UHFFFAOYSA-N
XLogP5.44
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.98
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S)-1-(3-chlorophenyl)-2-cyanopropyl]-5-(3,6-difluoro-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 176995984
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
5-(2-fluorophenyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71856768
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
5-propyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 74231466
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide (CID 176995772) is chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide is Cc1c(F)ccc(F)c1-c1[nH]ncc1C(=O)NCCc1cc(N(C)C)ccn1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MGYOGVKXWMRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O.C6H5Cl/c1-12-16(21)4-5-17(22)18(12)19-15(11-25-26-19)20(28)24-8-6-13-10-14(27(2)3)7-9-23-13;7-6-4-2-1-3-5-6/h4-5,7,9-11H,6,8H2,1-3H3,(H,24,28)(H,25,26);1-5H.
What are the key properties of chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide?
chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 176995772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).