N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide

C21H24N4O — CID 8938193

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-16-13-14-22-25(16)19-11-9-18(10-12-19)21(26)23-20(15-24(2)3)17-7-5-4-6-8-17/h4-14,20H,15H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyXHUOHOZDHPSSFX-FQEVSTJZSA-N
MW348.45 g/mol
LogP3.21
Rot. Bonds6

About N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 8938193) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID8938193
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-16-13-14-22-25(16)19-11-9-18(10-12-19)21(26)23-20(15-24(2)3)17-7-5-4-6-8-17/h4-14,20H,15H2,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyXHUOHOZDHPSSFX-FQEVSTJZSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
CID 66462748
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9185649
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482283
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8644038
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 8938193) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is XHUOHOZDHPSSFX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-13-14-22-25(16)19-11-9-18(10-12-19)21(26)23-20(15-24(2)3)17-7-5-4-6-8-17/h4-14,20H,15H2,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 8938193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).