1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone

C10H15N3O2 — CID 103726876

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
SMILESCC1(O)CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C10H15N3O2/c1-10(15)3-6-12(8-10)9(14)7-13-5-2-4-11-13/h2,4-5,15H,3,6-8H2,1H3
InChIKeySSAAZIGJKXNTEW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.13
Rot. Bonds2

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone (PubChem CID 103726876) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
PubChem CID103726876
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
SMILESCC1(O)CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C10H15N3O2/c1-10(15)3-6-12(8-10)9(14)7-13-5-2-4-11-13/h2,4-5,15H,3,6-8H2,1H3
InChIKeySSAAZIGJKXNTEW-UHFFFAOYSA-N
XLogP-0.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576
1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124949348
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
N-[(3R,4S)-3-hydroxy-3-methyl-9-(2-pyrazol-1-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110125008
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone (CID 103726876) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone is CC1(O)CCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
The InChIKey is SSAAZIGJKXNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(15)3-6-12(8-10)9(14)7-13-5-2-4-11-13/h2,4-5,15H,3,6-8H2,1H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone has a molecular weight of 209.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 103726876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).