N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

C20H20F2N4O — CID 16677386

IUPACN-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1F
InChIInChI=1S/C20H20F2N4O/c1-25(2)19(17-5-3-4-6-18(17)22)12-23-20(27)14-11-24-26(13-14)16-9-7-15(21)8-10-16/h3-11,13,19H,12H2,1-2H3,(H,23,27)
InChIKeyFXHWZNBBIGRFMZ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 16677386) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID16677386
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1F
InChIInChI=1S/C20H20F2N4O/c1-25(2)19(17-5-3-4-6-18(17)22)12-23-20(27)14-11-24-26(13-14)16-9-7-15(21)8-10-16/h3-11,13,19H,12H2,1-2H3,(H,23,27)
InChIKeyFXHWZNBBIGRFMZ-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[(1S,2S)-1-(2-fluorophenyl)-1-methoxypropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 97258900
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 16677386) is N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide is CN(C)C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is FXHWZNBBIGRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-25(2)19(17-5-3-4-6-18(17)22)12-23-20(27)14-11-24-26(13-14)16-9-7-15(21)8-10-16/h3-11,13,19H,12H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16677386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).