4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole

C14H16N2O2 — CID 166240164

IUPAC4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
SMILESc1cc(COC2CCOC2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C14H16N2O2/c1-2-11(9-18-14-4-5-17-10-14)6-12(3-1)13-7-15-16-8-13/h1-3,6-8,14H,4-5,9-10H2,(H,15,16)
InChIKeyUMPLFZDICOPNRR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.38
Rot. Bonds4

About 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole

4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole (PubChem CID 166240164) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
PubChem CID166240164
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
SMILESc1cc(COC2CCOC2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C14H16N2O2/c1-2-11(9-18-14-4-5-17-10-14)6-12(3-1)13-7-15-16-8-13/h1-3,6-8,14H,4-5,9-10H2,(H,15,16)
InChIKeyUMPLFZDICOPNRR-UHFFFAOYSA-N
XLogP2.38
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole?
The IUPAC name of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole (CID 166240164) is 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole is c1cc(COC2CCOC2)cc(-c2cn[nH]c2)c1.
What is the InChIKey of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole?
The InChIKey is UMPLFZDICOPNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-11(9-18-14-4-5-17-10-14)6-12(3-1)13-7-15-16-8-13/h1-3,6-8,14H,4-5,9-10H2,(H,15,16).
What are the key properties of 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole?
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole has a molecular weight of 244.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 166240164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).