(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C12H19N3O3 — CID 106671135

IUPAC(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CC(O)C(O)C2)n(CC)n1
InChIInChI=1S/C12H19N3O3/c1-3-8-5-9(15(4-2)13-8)12(18)14-6-10(16)11(17)7-14/h5,10-11,16-17H,3-4,6-7H2,1-2H3
InChIKeyVUYZJBHZYGNULQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.36
Rot. Bonds3

About (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106671135) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106671135
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CC(O)C(O)C2)n(CC)n1
InChIInChI=1S/C12H19N3O3/c1-3-8-5-9(15(4-2)13-8)12(18)14-6-10(16)11(17)7-14/h5,10-11,16-17H,3-4,6-7H2,1-2H3
InChIKeyVUYZJBHZYGNULQ-UHFFFAOYSA-N
XLogP-0.36
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106671135) is (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is CCc1cc(C(=O)N2CC(O)C(O)C2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is VUYZJBHZYGNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-8-5-9(15(4-2)13-8)12(18)14-6-10(16)11(17)7-14/h5,10-11,16-17H,3-4,6-7H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106671135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).