5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole

C13H15FN2 — CID 59743851

IUPAC5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
SMILESCC(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H15FN2/c1-9(2)7-11-8-15-16-13(11)10-3-5-12(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyUDVOVAXTXKURQI-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.41
Rot. Bonds3

About 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole

5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole (PubChem CID 59743851) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
PubChem CID59743851
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
SMILESCC(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H15FN2/c1-9(2)7-11-8-15-16-13(11)10-3-5-12(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyUDVOVAXTXKURQI-UHFFFAOYSA-N
XLogP3.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 46984703
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
CID 105474025
1-(cyclohexen-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 131894979
4-iodo-5-[4-(2-methylpropyl)phenyl]-1H-pyrazole
CID 63735353
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 111467905
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880553
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
5-(4-fluorophenyl)-4-iodo-1H-pyrazole
CID 63735008
3-[3-[ethyl(methyl)amino]butyl]-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122569685

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole (CID 59743851) is 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole is CC(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole?
The InChIKey is UDVOVAXTXKURQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)7-11-8-15-16-13(11)10-3-5-12(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole?
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole is sourced from PubChem (CID 59743851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).