1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one

C13H20N2O2 — CID 103024267

IUPAC1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one
SMILESCn1nccc1CCC(=O)CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-15-11(8-9-14-15)4-5-12(16)6-7-13-3-2-10-17-13/h8-9,13H,2-7,10H2,1H3
InChIKeyIGOWGLLRJUATNE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.88
Rot. Bonds6

About 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one

1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one (PubChem CID 103024267) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one
PubChem CID103024267
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one
SMILESCn1nccc1CCC(=O)CCC1CCCO1
InChIInChI=1S/C13H20N2O2/c1-15-11(8-9-14-15)4-5-12(16)6-7-13-3-2-10-17-13/h8-9,13H,2-7,10H2,1H3
InChIKeyIGOWGLLRJUATNE-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one (CID 103024267) is 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one is Cn1nccc1CCC(=O)CCC1CCCO1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one?
The InChIKey is IGOWGLLRJUATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-11(8-9-14-15)4-5-12(16)6-7-13-3-2-10-17-13/h8-9,13H,2-7,10H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one?
1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one has a molecular weight of 236.31 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one is sourced from PubChem (CID 103024267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).