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

C17H16FN3 — CID 82072215

IUPAC[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
SMILESCc1ccccc1-n1nc(CN)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3/c1-12-4-2-3-5-16(12)21-17(10-15(11-19)20-21)13-6-8-14(18)9-7-13/h2-10H,11,19H2,1H3
InChIKeyIPBOJJOHNVJUEG-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.45
Rot. Bonds3

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

[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072215) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
PubChem CID82072215
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
SMILESCc1ccccc1-n1nc(CN)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3/c1-12-4-2-3-5-16(12)21-17(10-15(11-19)20-21)13-6-8-14(18)9-7-13/h2-10H,11,19H2,1H3
InChIKeyIPBOJJOHNVJUEG-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

Analyze [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072619
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072742
1-(2,3-dimethylphenyl)-4-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]piperazine
CID 25064429
[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072567
4-(chloromethyl)-5-(4-fluorophenyl)-1-(2-methylphenyl)triazole
CID 56769743

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine (CID 82072215) is [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine is Cc1ccccc1-n1nc(CN)cc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is IPBOJJOHNVJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-4-2-3-5-16(12)21-17(10-15(11-19)20-21)13-6-8-14(18)9-7-13/h2-10H,11,19H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine?
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-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 [5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).