1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole

C15H18N2O — CID 119034768

IUPAC1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
SMILESc1ccc(-c2cnn(CCC3CCCO3)c2)cc1
InChIInChI=1S/C15H18N2O/c1-2-5-13(6-3-1)14-11-16-17(12-14)9-8-15-7-4-10-18-15/h1-3,5-6,11-12,15H,4,7-10H2
InChIKeySAGNCISTSURZSH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole

1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole (PubChem CID 119034768) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
PubChem CID119034768
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
SMILESc1ccc(-c2cnn(CCC3CCCO3)c2)cc1
InChIInChI=1S/C15H18N2O/c1-2-5-13(6-3-1)14-11-16-17(12-14)9-8-15-7-4-10-18-15/h1-3,5-6,11-12,15H,4,7-10H2
InChIKeySAGNCISTSURZSH-UHFFFAOYSA-N
XLogP3.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole (CID 119034768) is 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole is c1ccc(-c2cnn(CCC3CCCO3)c2)cc1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole?
The InChIKey is SAGNCISTSURZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-5-13(6-3-1)14-11-16-17(12-14)9-8-15-7-4-10-18-15/h1-3,5-6,11-12,15H,4,7-10H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole?
1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole has a molecular weight of 242.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole is sourced from PubChem (CID 119034768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).