2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide

C17H24N4O2 — CID 173044738

IUPAC2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide
SMILESCc1[nH]ncc1-c1cccc(OC[C@@H](C)NC(=O)CN(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-12(19-17(22)10-21(3)4)11-23-15-7-5-6-14(8-15)16-9-18-20-13(16)2/h5-9,12H,10-11H2,1-4H3,(H,18,20)(H,19,22)/t12-/m1/s1
InChIKeyVFTOJTSZESPQQQ-GFCCVEGCSA-N
MW316.41 g/mol
LogP1.83
Rot. Bonds7

About 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide

2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide (PubChem CID 173044738) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide
PubChem CID173044738
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide
SMILESCc1[nH]ncc1-c1cccc(OC[C@@H](C)NC(=O)CN(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-12(19-17(22)10-21(3)4)11-23-15-7-5-6-14(8-15)16-9-18-20-13(16)2/h5-9,12H,10-11H2,1-4H3,(H,18,20)(H,19,22)/t12-/m1/s1
InChIKeyVFTOJTSZESPQQQ-GFCCVEGCSA-N
XLogP1.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)aniline
CID 25093236
N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}acetamide
CID 25093237
ethyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
CID 10132265
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015
N'-methyl-N'-[[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671035
N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342334
7-ethoxy-1,3-dimethyl-5-(1H-pyrazol-5-yl)-1H-3-benzazepin-2-one
CID 168298586
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-(1H-pyrazol-5-ylmethylamino)ethyl]-2-phenylpropanamide
CID 51356431
N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 16189192
5-{[{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]methyl}pyrrolidin-2-one
CID 16190598
1-cyclohexyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazin-2-one
CID 16191537

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide (CID 173044738) is 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide is Cc1[nH]ncc1-c1cccc(OC[C@@H](C)NC(=O)CN(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide?
The InChIKey is VFTOJTSZESPQQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(19-17(22)10-21(3)4)11-23-15-7-5-6-14(8-15)16-9-18-20-13(16)2/h5-9,12H,10-11H2,1-4H3,(H,18,20)(H,19,22)/t12-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide?
2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2R)-1-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 173044738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).