[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine

C19H20FN3 — CID 82072614

IUPAC[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
SMILESCC(C)c1ccc(-c2cc(CN)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3/c1-13(2)14-3-5-15(6-4-14)19-11-17(12-21)22-23(19)18-9-7-16(20)8-10-18/h3-11,13H,12,21H2,1-2H3
InChIKeyYLKZRGBSPQETAS-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.26
Rot. Bonds4

About [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine

[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072614) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
PubChem CID82072614
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
SMILESCC(C)c1ccc(-c2cc(CN)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3/c1-13(2)14-3-5-15(6-4-14)19-11-17(12-21)22-23(19)18-9-7-16(20)8-10-18/h3-11,13H,12,21H2,1-2H3
InChIKeyYLKZRGBSPQETAS-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072619
3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072742
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 23174225
2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
CID 82086518
2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole
CID 53416298
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
CID 52951388

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine (CID 82072614) is [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine is CC(C)c1ccc(-c2cc(CN)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is YLKZRGBSPQETAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-13(2)14-3-5-15(6-4-14)19-11-17(12-21)22-23(19)18-9-7-16(20)8-10-18/h3-11,13H,12,21H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine?
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 309.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).