1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole

C15H18N2O2 — CID 138018694

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole
SMILESCc1cn(CCC2OCCO2)nc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-12-11-17(8-7-14-18-9-10-19-14)16-15(12)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3
InChIKeyGLQQRPVFMJGVBZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole (PubChem CID 138018694) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole
PubChem CID138018694
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole
SMILESCc1cn(CCC2OCCO2)nc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-12-11-17(8-7-14-18-9-10-19-14)16-15(12)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3
InChIKeyGLQQRPVFMJGVBZ-UHFFFAOYSA-N
XLogP2.62
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole (CID 138018694) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole is Cc1cn(CCC2OCCO2)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole?
The InChIKey is GLQQRPVFMJGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-11-17(8-7-14-18-9-10-19-14)16-15(12)13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole has a molecular weight of 258.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-methyl-3-phenylpyrazole is sourced from PubChem (CID 138018694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).