3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one

C11H18N4O2 — CID 129495012

IUPAC3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
SMILESCO[C@@H]1CN(C(=O)CCN)C[C@H]1n1cccn1
InChIInChI=1S/C11H18N4O2/c1-17-10-8-14(11(16)3-4-12)7-9(10)15-6-2-5-13-15/h2,5-6,9-10H,3-4,7-8,12H2,1H3/t9-,10-/m1/s1
InChIKeyAGNICRPCNXMQPH-NXEZZACHSA-N
MW238.29 g/mol
LogP-0.37
Rot. Bonds4

About 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one

3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 129495012) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
PubChem CID129495012
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
SMILESCO[C@@H]1CN(C(=O)CCN)C[C@H]1n1cccn1
InChIInChI=1S/C11H18N4O2/c1-17-10-8-14(11(16)3-4-12)7-9(10)15-6-2-5-13-15/h2,5-6,9-10H,3-4,7-8,12H2,1H3/t9-,10-/m1/s1
InChIKeyAGNICRPCNXMQPH-NXEZZACHSA-N
XLogP-0.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone
CID 121204047
3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
CID 129497156
3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
CID 121203853
3-amino-1-[(3S,4S)-3,4-diethoxypyrrolidin-1-yl]propan-1-one
CID 129496848
3-amino-1-[(3R,4S)-3,4-diethoxypyrrolidin-1-yl]propan-1-one
CID 129496844
6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
CID 110482610
4-(2-aminoethyl)-1-(3,4-dimethoxypyrrolidin-1-yl)-5,5-dimethylhexan-1-one
CID 103533203
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
4-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-4-oxobutanoic acid
CID 129496570
1-[(3R,4R)-3-[(3-chloro-5-methylphenyl)methoxy]-4-pyrazol-1-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 167534117
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
(3aS,5S,6S,7aR)-5-methoxy-2-propan-2-yl-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154813071

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one (CID 129495012) is 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one is CO[C@@H]1CN(C(=O)CCN)C[C@H]1n1cccn1.
What is the InChIKey of 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is AGNICRPCNXMQPH-NXEZZACHSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-10-8-14(11(16)3-4-12)7-9(10)15-6-2-5-13-15/h2,5-6,9-10H,3-4,7-8,12H2,1H3/t9-,10-/m1/s1.
What are the key properties of 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 238.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R,4R)-3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129495012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).