[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C11H17N3O2 — CID 102737857

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccn(C)n2)C1CO
InChIInChI=1S/C11H17N3O2/c1-8-3-6-14(10(8)7-15)11(16)9-4-5-13(2)12-9/h4-5,8,10,15H,3,6-7H2,1-2H3
InChIKeyQYOPJWKGHAYVDX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.26
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 102737857) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID102737857
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCC1CCN(C(=O)c2ccn(C)n2)C1CO
InChIInChI=1S/C11H17N3O2/c1-8-3-6-14(10(8)7-15)11(16)9-4-5-13(2)12-9/h4-5,8,10,15H,3,6-7H2,1-2H3
InChIKeyQYOPJWKGHAYVDX-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 102737857) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is CC1CCN(C(=O)c2ccn(C)n2)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is QYOPJWKGHAYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-6-14(10(8)7-15)11(16)9-4-5-13(2)12-9/h4-5,8,10,15H,3,6-7H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 102737857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).