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

C12H11FN2O2 — CID 155932623

IUPAC5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(C3OCCO3)[nH]n2)cc1
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-8(2-4-9)10-7-11(15-14-10)12-16-5-6-17-12/h1-4,7,12H,5-6H2,(H,14,15)
InChIKeyOHTGIHJEZOGOJA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.26
Rot. Bonds2

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

5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole (PubChem CID 155932623) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
PubChem CID155932623
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(C3OCCO3)[nH]n2)cc1
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-8(2-4-9)10-7-11(15-14-10)12-16-5-6-17-12/h1-4,7,12H,5-6H2,(H,14,15)
InChIKeyOHTGIHJEZOGOJA-UHFFFAOYSA-N
XLogP2.26
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-phenyl-1H-pyrazole
CID 155516159
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
3-(3-chloro-4-fluorophenyl)-5-(1,3-dioxan-2-yl)-1H-pyrazole
CID 155931745
5-(1,3-dioxan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole
CID 155932702
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanol
CID 49756939
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanediol
CID 56992501
3-(2,4,5-Trifluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345342
3-(3,4-Difluorophenyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 59345352
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanol
CID 65719181
[3-(2-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-4-yl]methanol
CID 67167969
5-(diethoxymethyl)-3-(3,5-difluorophenyl)-1H-pyrazole
CID 68684839
3-(3-chloro-4-fluorophenyl)-5-(diethoxymethyl)-1H-pyrazole
CID 81173958

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole (CID 155932623) is 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole is Fc1ccc(-c2cc(C3OCCO3)[nH]n2)cc1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole?
The InChIKey is OHTGIHJEZOGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-3-1-8(2-4-9)10-7-11(15-14-10)12-16-5-6-17-12/h1-4,7,12H,5-6H2,(H,14,15).
What are the key properties of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole?
5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole has a molecular weight of 234.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 155932623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).