[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine

C17H16FN3 — CID 28910918

IUPAC[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN)cc1
InChIInChI=1S/C17H16FN3/c1-12-2-4-13(5-3-12)17-14(10-19)11-21(20-17)16-8-6-15(18)7-9-16/h2-9,11H,10,19H2,1H3
InChIKeyUCFARJGWKVVBTQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.45
Rot. Bonds3

About [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine

[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 28910918) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID28910918
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN)cc1
InChIInChI=1S/C17H16FN3/c1-12-2-4-13(5-3-12)17-14(10-19)11-21(20-17)16-8-6-15(18)7-9-16/h2-9,11H,10,19H2,1H3
InChIKeyUCFARJGWKVVBTQ-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910884
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
CID 99938045
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
(2S)-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 95870427
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylmethanamine
CID 25383519
N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 26397328
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45179657
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine (CID 28910918) is [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is UCFARJGWKVVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-2-4-13(5-3-12)17-14(10-19)11-21(20-17)16-8-6-15(18)7-9-16/h2-9,11H,10,19H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine?
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 28910918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).