(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one

C19H26N4O2 — CID 124757474

IUPAC(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cccc(-n2cc(CN(C)[C@H](C)C(=O)N3CCCC3)cn2)c1
InChIInChI=1S/C19H26N4O2/c1-15(19(24)22-9-4-5-10-22)21(2)13-16-12-20-23(14-16)17-7-6-8-18(11-17)25-3/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3/t15-/m1/s1
InChIKeyWLEYSBQHEIESPO-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 124757474) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID124757474
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1cccc(-n2cc(CN(C)[C@H](C)C(=O)N3CCCC3)cn2)c1
InChIInChI=1S/C19H26N4O2/c1-15(19(24)22-9-4-5-10-22)21(2)13-16-12-20-23(14-16)17-7-6-8-18(11-17)25-3/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3/t15-/m1/s1
InChIKeyWLEYSBQHEIESPO-OAHLLOKOSA-N
XLogP2.32
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
2-[(3-methoxyphenyl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78787759
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
(2R)-2-[(3-methoxy-4-methylsulfanylphenyl)methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 95278906
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 124757474) is (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one is COc1cccc(-n2cc(CN(C)[C@H](C)C(=O)N3CCCC3)cn2)c1.
What is the InChIKey of (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WLEYSBQHEIESPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(19(24)22-9-4-5-10-22)21(2)13-16-12-20-23(14-16)17-7-6-8-18(11-17)25-3/h6-8,11-12,14-15H,4-5,9-10,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 124757474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).