2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone

C13H18N2O3 — CID 135306108

IUPAC2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone
SMILESO=C(n1cccn1)C(O)(C1CCOCC1)C1CC1
InChIInChI=1S/C13H18N2O3/c16-12(15-7-1-6-14-15)13(17,10-2-3-10)11-4-8-18-9-5-11/h1,6-7,10-11,17H,2-5,8-9H2
InChIKeyWQFZEXDXZJCIRN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.09
Rot. Bonds3

About 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone

2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone (PubChem CID 135306108) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone
PubChem CID135306108
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone
SMILESO=C(n1cccn1)C(O)(C1CCOCC1)C1CC1
InChIInChI=1S/C13H18N2O3/c16-12(15-7-1-6-14-15)13(17,10-2-3-10)11-4-8-18-9-5-11/h1,6-7,10-11,17H,2-5,8-9H2
InChIKeyWQFZEXDXZJCIRN-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone?
The IUPAC name of 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone (CID 135306108) is 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone is O=C(n1cccn1)C(O)(C1CCOCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone?
The InChIKey is WQFZEXDXZJCIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(15-7-1-6-14-15)13(17,10-2-3-10)11-4-8-18-9-5-11/h1,6-7,10-11,17H,2-5,8-9H2.
What are the key properties of 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone?
2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-2-(oxan-4-yl)-1-pyrazol-1-ylethanone is sourced from PubChem (CID 135306108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).