4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole

C13H15FN2 — CID 121383013

IUPAC4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
SMILESCC(C)c1cccc(-c2cnn(C)c2)c1F
InChIInChI=1S/C13H15FN2/c1-9(2)11-5-4-6-12(13(11)14)10-7-15-16(3)8-10/h4-9H,1-3H3
InChIKeyIKWLGBVUFQPGPC-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.35
Rot. Bonds2

About 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole

4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole (PubChem CID 121383013) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
PubChem CID121383013
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole
SMILESCC(C)c1cccc(-c2cnn(C)c2)c1F
InChIInChI=1S/C13H15FN2/c1-9(2)11-5-4-6-12(13(11)14)10-7-15-16(3)8-10/h4-9H,1-3H3
InChIKeyIKWLGBVUFQPGPC-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole?
The IUPAC name of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole (CID 121383013) is 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole?
The canonical SMILES for 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole is CC(C)c1cccc(-c2cnn(C)c2)c1F.
What is the InChIKey of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole?
The InChIKey is IKWLGBVUFQPGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)11-5-4-6-12(13(11)14)10-7-15-16(3)8-10/h4-9H,1-3H3.
What are the key properties of 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole?
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole is sourced from PubChem (CID 121383013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).