3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole

C13H15FN2 — CID 71154251

IUPAC3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1C(C)C
InChIInChI=1S/C13H15FN2/c1-8(2)12-9(3)13(16-15-12)10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)
InChIKeyTVFDRPUDAMCBDM-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.65
Rot. Bonds2

About 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole

3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole (PubChem CID 71154251) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole
PubChem CID71154251
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole
SMILESCc1c(-c2ccc(F)cc2)n[nH]c1C(C)C
InChIInChI=1S/C13H15FN2/c1-8(2)12-9(3)13(16-15-12)10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)
InChIKeyTVFDRPUDAMCBDM-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole (CID 71154251) is 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole is Cc1c(-c2ccc(F)cc2)n[nH]c1C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole?
The InChIKey is TVFDRPUDAMCBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-8(2)12-9(3)13(16-15-12)10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole?
3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 71154251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).