1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol

C12H20N2O2 — CID 62729993

IUPAC1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CC2CCOC2)c(C)c1C(C)O
InChIInChI=1S/C12H20N2O2/c1-8-12(10(3)15)9(2)14(13-8)6-11-4-5-16-7-11/h10-11,15H,4-7H2,1-3H3
InChIKeyHUQUFUDDBKTQIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.59
Rot. Bonds3

About 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol

1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol (PubChem CID 62729993) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
PubChem CID62729993
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CC2CCOC2)c(C)c1C(C)O
InChIInChI=1S/C12H20N2O2/c1-8-12(10(3)15)9(2)14(13-8)6-11-4-5-16-7-11/h10-11,15H,4-7H2,1-3H3
InChIKeyHUQUFUDDBKTQIT-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol (CID 62729993) is 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol is Cc1nn(CC2CCOC2)c(C)c1C(C)O.
What is the InChIKey of 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol?
The InChIKey is HUQUFUDDBKTQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-12(10(3)15)9(2)14(13-8)6-11-4-5-16-7-11/h10-11,15H,4-7H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol?
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol has a molecular weight of 224.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 62729993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).