4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one

C10H15N3O2 — CID 168663095

IUPAC4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c14-7-9-3-10(15)13(6-9)2-1-8-4-11-12-5-8/h4-5,9,14H,1-3,6-7H2,(H,11,12)
InChIKeyXYPNZUYOSBFGNN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.21
Rot. Bonds4

About 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 168663095) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
PubChem CID168663095
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1cn[nH]c1
InChIInChI=1S/C10H15N3O2/c14-7-9-3-10(15)13(6-9)2-1-8-4-11-12-5-8/h4-5,9,14H,1-3,6-7H2,(H,11,12)
InChIKeyXYPNZUYOSBFGNN-UHFFFAOYSA-N
XLogP-0.21
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl] ethanethioate
CID 168706066
4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168663120
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
CID 168663108
1-[2-(3-bromophenyl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663110
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
4-(hydroxymethyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
CID 168662744
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
1-[2-(1H-indazol-5-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670961
1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
1-[2-(4-aminophenyl)ethyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168504969

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one (CID 168663095) is 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one is O=C1CC(CO)CN1CCc1cn[nH]c1.
What is the InChIKey of 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is XYPNZUYOSBFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-7-9-3-10(15)13(6-9)2-1-8-4-11-12-5-8/h4-5,9,14H,1-3,6-7H2,(H,11,12).
What are the key properties of 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168663095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).