N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide

C20H22N4O — CID 8938307

IUPACN-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
SMILESCN(C)C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(2)15-19(16-7-4-3-5-8-16)22-20(25)17-9-11-18(12-10-17)24-14-6-13-21-24/h3-14,19H,15H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyFIFIUICQKADSGA-LJQANCHMSA-N
MW334.42 g/mol
LogP2.90
Rot. Bonds6

About N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 8938307) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
PubChem CID8938307
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
SMILESCN(C)C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(2)15-19(16-7-4-3-5-8-16)22-20(25)17-9-11-18(12-10-17)24-14-6-13-21-24/h3-14,19H,15H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyFIFIUICQKADSGA-LJQANCHMSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938193
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25358395
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
N-[phenyl(pyridin-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 78799117
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide (CID 8938307) is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide is CN(C)C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is FIFIUICQKADSGA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)15-19(16-7-4-3-5-8-16)22-20(25)17-9-11-18(12-10-17)24-14-6-13-21-24/h3-14,19H,15H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide?
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 8938307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).