1-(3-fluorophenyl)-3-propan-2-ylpyrazole

C12H13FN2 — CID 66016724

IUPAC1-(3-fluorophenyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C12H13FN2/c1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11/h3-9H,1-2H3
InChIKeyXNUINXWXGYIORC-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.13
Rot. Bonds2

About 1-(3-fluorophenyl)-3-propan-2-ylpyrazole

1-(3-fluorophenyl)-3-propan-2-ylpyrazole (PubChem CID 66016724) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-propan-2-ylpyrazole
PubChem CID66016724
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-(3-fluorophenyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C12H13FN2/c1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11/h3-9H,1-2H3
InChIKeyXNUINXWXGYIORC-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole?
The IUPAC name of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole (CID 66016724) is 1-(3-fluorophenyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(3-fluorophenyl)-3-propan-2-ylpyrazole is CC(C)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole?
The InChIKey is XNUINXWXGYIORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-9(2)12-6-7-15(14-12)11-5-3-4-10(13)8-11/h3-9H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-propan-2-ylpyrazole?
1-(3-fluorophenyl)-3-propan-2-ylpyrazole has a molecular weight of 204.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 66016724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).