N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide

C20H19FN4O2 — CID 70737970

IUPACN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)C(NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-25(2)20(27)18(13-7-4-3-5-8-13)23-19(26)16-12-22-24-17(16)14-9-6-10-15(21)11-14/h3-12,18H,1-2H3,(H,22,24)(H,23,26)
InChIKeyORWADUYOJDVXRO-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 70737970) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID70737970
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)C(NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C20H19FN4O2/c1-25(2)20(27)18(13-7-4-3-5-8-13)23-19(26)16-12-22-24-17(16)14-9-6-10-15(21)11-14/h3-12,18H,1-2H3,(H,22,24)(H,23,26)
InChIKeyORWADUYOJDVXRO-UHFFFAOYSA-N
XLogP2.78
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 97150973
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 95202437
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 10621487
5-(3-fluorophenyl)-N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-1H-pyrazole-4-carboxamide
CID 97114717
5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154897067
N-(2-tert-butylsulfanylethyl)-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 74235548
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 56568073
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 97132375
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 70775866

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 70737970) is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide is CN(C)C(=O)C(NC(=O)c1cn[nH]c1-c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ORWADUYOJDVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-25(2)20(27)18(13-7-4-3-5-8-13)23-19(26)16-12-22-24-17(16)14-9-6-10-15(21)11-14/h3-12,18H,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70737970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).