3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one

C12H19N3O — CID 104679348

IUPAC3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
SMILESCCc1cc(CC2CCNC2=O)n(CC)n1
InChIInChI=1S/C12H19N3O/c1-3-10-8-11(15(4-2)14-10)7-9-5-6-13-12(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyHCYWTQPNGGWICV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.14
Rot. Bonds4

About 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one

3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 104679348) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID104679348
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
SMILESCCc1cc(CC2CCNC2=O)n(CC)n1
InChIInChI=1S/C12H19N3O/c1-3-10-8-11(15(4-2)14-10)7-9-5-6-13-12(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyHCYWTQPNGGWICV-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 104679409
3-[(1,3-diethylpyrazol-5-yl)methyl]oxan-4-one
CID 106468863
4-[(1,3-diethylpyrazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 114272276
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione
CID 66062447
N-[(1,3-diethylpyrazol-5-yl)methyl]-N-methylazepan-4-amine
CID 107173417
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
1-(1,3-diethylpyrazol-5-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571150

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one (CID 104679348) is 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one is CCc1cc(CC2CCNC2=O)n(CC)n1.
What is the InChIKey of 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is HCYWTQPNGGWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-8-11(15(4-2)14-10)7-9-5-6-13-12(9)16/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one?
3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).