1-(1H-pyrazol-4-yl)pyrrolidin-2-one

C7H9N3O — CID 134691297

IUPAC1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cn[nH]c1
InChIInChI=1S/C7H9N3O/c11-7-2-1-3-10(7)6-4-8-9-5-6/h4-5H,1-3H2,(H,8,9)
InChIKeyFVHFSDBHMHGUFU-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.54
Rot. Bonds1

About 1-(1H-pyrazol-4-yl)pyrrolidin-2-one

1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 134691297) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID134691297
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cn[nH]c1
InChIInChI=1S/C7H9N3O/c11-7-2-1-3-10(7)6-4-8-9-5-6/h4-5H,1-3H2,(H,8,9)
InChIKeyFVHFSDBHMHGUFU-UHFFFAOYSA-N
XLogP0.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-4-yl)-1-(3-sulfanylpropanoyl)pyrrolidine-3-carboxamide
CID 177681147
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43429719
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708423
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75376451
(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963443
2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide
CID 130703024
3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 131020629
5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168715868
N-(1H-pyrazol-4-yl)butanamide
CID 13450485

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 134691297) is 1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1H-pyrazol-4-yl)pyrrolidin-2-one is O=C1CCCN1c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is FVHFSDBHMHGUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-2-1-3-10(7)6-4-8-9-5-6/h4-5H,1-3H2,(H,8,9).
What are the key properties of 1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 151.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 134691297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).