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

C17H16FN3 — CID 28910823

IUPAC[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1cccc(-n2cc(CN)c(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN3/c1-12-3-2-4-16(9-12)21-11-14(10-19)17(20-21)13-5-7-15(18)8-6-13/h2-9,11H,10,19H2,1H3
InChIKeyRGDFFDSXTYOUFI-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.45
Rot. Bonds3

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

[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 28910823) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID28910823
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
SMILESCc1cccc(-n2cc(CN)c(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN3/c1-12-3-2-4-16(9-12)21-11-14(10-19)17(20-21)13-5-7-15(18)8-6-13/h2-9,11H,10,19H2,1H3
InChIKeyRGDFFDSXTYOUFI-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-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910884
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
CID 155977757
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 28730007
[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70747526
[(3R)-4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 95873525
2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-one
CID 70768807

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine (CID 28910823) is [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine is Cc1cccc(-n2cc(CN)c(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is RGDFFDSXTYOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-3-2-4-16(9-12)21-11-14(10-19)17(20-21)13-5-7-15(18)8-6-13/h2-9,11H,10,19H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine?
[3-(4-fluorophenyl)-1-(3-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 [3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 28910823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).