1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole

C16H20N2O2 — CID 90989801

IUPAC1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole
SMILESCC1(C)OC(c2ccc(-n3cccn3)cc2)OC1(C)C
InChIInChI=1S/C16H20N2O2/c1-15(2)16(3,4)20-14(19-15)12-6-8-13(9-7-12)18-11-5-10-17-18/h5-11,14H,1-4H3
InChIKeySYOAKVHDRDIOGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.47
Rot. Bonds2

About 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole

1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole (PubChem CID 90989801) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole
PubChem CID90989801
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole
SMILESCC1(C)OC(c2ccc(-n3cccn3)cc2)OC1(C)C
InChIInChI=1S/C16H20N2O2/c1-15(2)16(3,4)20-14(19-15)12-6-8-13(9-7-12)18-11-5-10-17-18/h5-11,14H,1-4H3
InChIKeySYOAKVHDRDIOGV-UHFFFAOYSA-N
XLogP3.47
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole?
The IUPAC name of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole (CID 90989801) is 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole is CC1(C)OC(c2ccc(-n3cccn3)cc2)OC1(C)C.
What is the InChIKey of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole?
The InChIKey is SYOAKVHDRDIOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)16(3,4)20-14(19-15)12-6-8-13(9-7-12)18-11-5-10-17-18/h5-11,14H,1-4H3.
What are the key properties of 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole?
1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole has a molecular weight of 272.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole is sourced from PubChem (CID 90989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).