3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole

C10H15FN2O2 — CID 175489657

IUPAC3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
SMILESCC1OC(C)(c2cc(F)n[nH]2)OC1(C)C
InChIInChI=1S/C10H15FN2O2/c1-6-9(2,3)15-10(4,14-6)7-5-8(11)13-12-7/h5-6H,1-4H3,(H,12,13)
InChIKeyIQIZGRBEHCITQA-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.94
Rot. Bonds1

About 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole

3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole (PubChem CID 175489657) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
PubChem CID175489657
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
SMILESCC1OC(C)(c2cc(F)n[nH]2)OC1(C)C
InChIInChI=1S/C10H15FN2O2/c1-6-9(2,3)15-10(4,14-6)7-5-8(11)13-12-7/h5-6H,1-4H3,(H,12,13)
InChIKeyIQIZGRBEHCITQA-UHFFFAOYSA-N
XLogP1.94
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
The IUPAC name of 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole (CID 175489657) is 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
The canonical SMILES for 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole is CC1OC(C)(c2cc(F)n[nH]2)OC1(C)C.
What is the InChIKey of 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
The InChIKey is IQIZGRBEHCITQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-6-9(2,3)15-10(4,14-6)7-5-8(11)13-12-7/h5-6H,1-4H3,(H,12,13).
What are the key properties of 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole?
3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole has a molecular weight of 214.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 175489657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).