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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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).