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

C13H15FN2 — CID 141224167

IUPAC5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cn[nH]c1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2/c1-9(2)12-8-15-16-13(12)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyDJZSHEPEULDJIK-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.26
Rot. Bonds3

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

5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole (PubChem CID 141224167) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole
PubChem CID141224167
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cn[nH]c1Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2/c1-9(2)12-8-15-16-13(12)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyDJZSHEPEULDJIK-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
3-phenyl-1H-pyrazole
CID 17155
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
4-Phenylpyrazole
CID 139106
3-Methyl-4-phenylpyrazol
CID 139601
4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 201772
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
5-benzhydryl-1H-pyrazole
CID 2806015
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11196322
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole (CID 141224167) is 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole is CC(C)c1cn[nH]c1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole?
The InChIKey is DJZSHEPEULDJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9(2)12-8-15-16-13(12)7-10-3-5-11(14)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole?
5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole has a molecular weight of 218.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 141224167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).