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

C10H16N4O2 — CID 129497156

IUPAC3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
SMILESNCCC(=O)N1C[C@@H](O)[C@H](n2cccn2)C1
InChIInChI=1S/C10H16N4O2/c11-3-2-10(16)13-6-8(9(15)7-13)14-5-1-4-12-14/h1,4-5,8-9,15H,2-3,6-7,11H2/t8-,9-/m1/s1
InChIKeyGBVAHKLSWWCZAK-RKDXNWHRSA-N
MW224.26 g/mol
LogP-1.02
Rot. Bonds3

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

3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 129497156) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
PubChem CID129497156
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one
SMILESNCCC(=O)N1C[C@@H](O)[C@H](n2cccn2)C1
InChIInChI=1S/C10H16N4O2/c11-3-2-10(16)13-6-8(9(15)7-13)14-5-1-4-12-14/h1,4-5,8-9,15H,2-3,6-7,11H2/t8-,9-/m1/s1
InChIKeyGBVAHKLSWWCZAK-RKDXNWHRSA-N
XLogP-1.02
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one (CID 129497156) is 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one is NCCC(=O)N1C[C@@H](O)[C@H](n2cccn2)C1.
What is the InChIKey of 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is GBVAHKLSWWCZAK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-3-2-10(16)13-6-8(9(15)7-13)14-5-1-4-12-14/h1,4-5,8-9,15H,2-3,6-7,11H2/t8-,9-/m1/s1.
What are the key properties of 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one?
3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 224.26 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3R,4R)-3-hydroxy-4-pyrazol-1-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129497156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).