N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C20H23N3O2 — CID 94650817

IUPACN-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCO[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15-12-13-23(22-15)18-10-8-17(9-11-18)20(24)21-14-19(25-2)16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyLCHBKGLCAJXFQP-LJQANCHMSA-N
MW337.42 g/mol
LogP3.39
Rot. Bonds6

About N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 94650817) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID94650817
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCO[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15-12-13-23(22-15)18-10-8-17(9-11-18)20(24)21-14-19(25-2)16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyLCHBKGLCAJXFQP-LJQANCHMSA-N
XLogP3.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51092478
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699746
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819
(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
CID 120695407
N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 56800368
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 87040971
methyl (2R)-2-methyl-3-[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 95045095
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-2-phenylethyl)benzamide
CID 60543626

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 94650817) is N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CO[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is LCHBKGLCAJXFQP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-12-13-23(22-15)18-10-8-17(9-11-18)20(24)21-14-19(25-2)16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 94650817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).