N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide

C19H26N4O2 — CID 91548793

IUPACN-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESC[C@H](COc1cccc(-c2cnn(C)c2)c1)NC(=O)CN1CCCC1
InChIInChI=1S/C19H26N4O2/c1-15(21-19(24)13-23-8-3-4-9-23)14-25-18-7-5-6-16(10-18)17-11-20-22(2)12-17/h5-7,10-12,15H,3-4,8-9,13-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyATXBMKDGOKNHEZ-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.07
Rot. Bonds7

About N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide

N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 91548793) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID91548793
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESC[C@H](COc1cccc(-c2cnn(C)c2)c1)NC(=O)CN1CCCC1
InChIInChI=1S/C19H26N4O2/c1-15(21-19(24)13-23-8-3-4-9-23)14-25-18-7-5-6-16(10-18)17-11-20-22(2)12-17/h5-7,10-12,15H,3-4,8-9,13-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyATXBMKDGOKNHEZ-OAHLLOKOSA-N
XLogP2.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide
CID 173052460
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91532617
N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine
CID 173096284
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615457
2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 90926280
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91251709
N-[1-(dimethylamino)cyclohexyl]-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 173096226
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide (CID 91548793) is N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide is C[C@H](COc1cccc(-c2cnn(C)c2)c1)NC(=O)CN1CCCC1.
What is the InChIKey of N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ATXBMKDGOKNHEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(21-19(24)13-23-8-3-4-9-23)14-25-18-7-5-6-16(10-18)17-11-20-22(2)12-17/h5-7,10-12,15H,3-4,8-9,13-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91548793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).