N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C23H27FN4O — CID 46578214

IUPACN-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1
InChIInChI=1S/C23H27FN4O/c1-4-27(5-2)22(18-9-7-6-8-10-18)16-25-23(29)21-15-26-28(17(21)3)20-13-11-19(24)12-14-20/h6-15,22H,4-5,16H2,1-3H3,(H,25,29)
InChIKeyVWSDFQMLFYMGMH-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.13
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 46578214) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID46578214
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1
InChIInChI=1S/C23H27FN4O/c1-4-27(5-2)22(18-9-7-6-8-10-18)16-25-23(29)21-15-26-28(17(21)3)20-13-11-19(24)12-14-20/h6-15,22H,4-5,16H2,1-3H3,(H,25,29)
InChIKeyVWSDFQMLFYMGMH-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 33089744
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
2-(diethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-phenylacetamide
CID 56549901
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60510440
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 46578214) is N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is CCN(CC)C(CNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is VWSDFQMLFYMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-4-27(5-2)22(18-9-7-6-8-10-18)16-25-23(29)21-15-26-28(17(21)3)20-13-11-19(24)12-14-20/h6-15,22H,4-5,16H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 46578214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).