1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one

C11H17N3O2 — CID 168701841

IUPAC1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1cc(N2CC(O)CC2=O)n[nH]1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-5-9(13-12-8)14-6-7(15)4-10(14)16/h5,7,15H,4,6H2,1-3H3,(H,12,13)
InChIKeyNGBFSZNWDPPNTH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.80
Rot. Bonds1

About 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one

1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168701841) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168701841
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
SMILESCC(C)(C)c1cc(N2CC(O)CC2=O)n[nH]1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-5-9(13-12-8)14-6-7(15)4-10(14)16/h5,7,15H,4,6H2,1-3H3,(H,12,13)
InChIKeyNGBFSZNWDPPNTH-UHFFFAOYSA-N
XLogP0.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-one
CID 168704175
1-(4,5-dimethyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168702622
methyl 1-(5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693953
4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one
CID 168702803
1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
CID 168701831
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
2-chloro-6-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168703795
1-(5-tert-butyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 114697624
1-(5-amino-1H-1,2,4-triazol-3-yl)-4-hydroxypyrrolidin-2-one
CID 168704171
4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168703466
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 168704019
4-hydroxy-1-[4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168704116

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one (CID 168701841) is 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one is CC(C)(C)c1cc(N2CC(O)CC2=O)n[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is NGBFSZNWDPPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)8-5-9(13-12-8)14-6-7(15)4-10(14)16/h5,7,15H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one?
1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-3-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).