[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine

C19H20FN3 — CID 155520033

IUPAC[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine
SMILESCc1nn(Cc2ccc(CN)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-13-19(17-7-9-18(20)10-8-17)14(2)23(22-13)12-16-5-3-15(11-21)4-6-16/h3-10H,11-12,21H2,1-2H3
InChIKeyWETKNYRTUMCFIZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.81
Rot. Bonds4

About [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine

[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine (PubChem CID 155520033) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine
PubChem CID155520033
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine
SMILESCc1nn(Cc2ccc(CN)cc2)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-13-19(17-7-9-18(20)10-8-17)14(2)23(22-13)12-16-5-3-15(11-21)4-6-16/h3-10H,11-12,21H2,1-2H3
InChIKeyWETKNYRTUMCFIZ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine (CID 155520033) is [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine is Cc1nn(Cc2ccc(CN)cc2)c(C)c1-c1ccc(F)cc1.
What is the InChIKey of [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is WETKNYRTUMCFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-13-19(17-7-9-18(20)10-8-17)14(2)23(22-13)12-16-5-3-15(11-21)4-6-16/h3-10H,11-12,21H2,1-2H3.
What are the key properties of [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine?
[4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 309.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 155520033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).