(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

C10H15N3O3 — CID 106673072

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H15N3O3/c1-5-9(6(2)12-11-5)10(16)13-3-7(14)8(15)4-13/h7-8,14-15H,3-4H2,1-2H3,(H,11,12)
InChIKeyUBYWJLYMJMLVES-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.80
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (PubChem CID 106673072) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
PubChem CID106673072
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H15N3O3/c1-5-9(6(2)12-11-5)10(16)13-3-7(14)8(15)4-13/h7-8,14-15H,3-4H2,1-2H3,(H,11,12)
InChIKeyUBYWJLYMJMLVES-UHFFFAOYSA-N
XLogP-0.80
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (CID 106673072) is (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is Cc1n[nH]c(C)c1C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The InChIKey is UBYWJLYMJMLVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-9(6(2)12-11-5)10(16)13-3-7(14)8(15)4-13/h7-8,14-15H,3-4H2,1-2H3,(H,11,12).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone has a molecular weight of 225.25 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 106673072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).