3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole

C13H15FN2 — CID 174113164

IUPAC3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
SMILESCc1cc(-c2ccn(C(C)C)n2)ccc1F
InChIInChI=1S/C13H15FN2/c1-9(2)16-7-6-13(15-16)11-4-5-12(14)10(3)8-11/h4-9H,1-3H3
InChIKeyFFZDMFZVNCEIFU-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.58
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole

3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole (PubChem CID 174113164) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
PubChem CID174113164
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole
SMILESCc1cc(-c2ccn(C(C)C)n2)ccc1F
InChIInChI=1S/C13H15FN2/c1-9(2)16-7-6-13(15-16)11-4-5-12(14)10(3)8-11/h4-9H,1-3H3
InChIKeyFFZDMFZVNCEIFU-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole (CID 174113164) is 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole is Cc1cc(-c2ccn(C(C)C)n2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is FFZDMFZVNCEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)16-7-6-13(15-16)11-4-5-12(14)10(3)8-11/h4-9H,1-3H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole?
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 174113164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).