N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide

C16H22N4O — CID 125446228

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccccc1[C@H](CNC(=O)Cn1cccn1)N(C)C
InChIInChI=1S/C16H22N4O/c1-13-7-4-5-8-14(13)15(19(2)3)11-17-16(21)12-20-10-6-9-18-20/h4-10,15H,11-12H2,1-3H3,(H,17,21)/t15-/m0/s1
InChIKeyKYRLURUGLCAMKH-HNNXBMFYSA-N
MW286.38 g/mol
LogP1.61
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide

N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 125446228) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide
PubChem CID125446228
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide
SMILESCc1ccccc1[C@H](CNC(=O)Cn1cccn1)N(C)C
InChIInChI=1S/C16H22N4O/c1-13-7-4-5-8-14(13)15(19(2)3)11-17-16(21)12-20-10-6-9-18-20/h4-10,15H,11-12H2,1-3H3,(H,17,21)/t15-/m0/s1
InChIKeyKYRLURUGLCAMKH-HNNXBMFYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-pyrazol-1-ylacetamide
CID 94173335
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-4,4,4-trifluorobutanamide
CID 125437973
N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-4,4,4-trifluorobutanamide
CID 122559642
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide
CID 46990636
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55349128
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-pyrazol-1-ylacetamide
CID 90624986
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46664447
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
1-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 125441465

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide (CID 125446228) is N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide is Cc1ccccc1[C@H](CNC(=O)Cn1cccn1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is KYRLURUGLCAMKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-7-4-5-8-14(13)15(19(2)3)11-17-16(21)12-20-10-6-9-18-20/h4-10,15H,11-12H2,1-3H3,(H,17,21)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide?
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 125446228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).