N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine

C17H16FN3 — CID 61167301

IUPACN-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
SMILESFc1ccccc1CNCc1ccccc1-n1cccn1
InChIInChI=1S/C17H16FN3/c18-16-8-3-1-6-14(16)12-19-13-15-7-2-4-9-17(15)21-11-5-10-20-21/h1-11,19H,12-13H2
InChIKeyQUBUOAIEVKEFQF-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.30
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine

N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine (PubChem CID 61167301) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
PubChem CID61167301
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
SMILESFc1ccccc1CNCc1ccccc1-n1cccn1
InChIInChI=1S/C17H16FN3/c18-16-8-3-1-6-14(16)12-19-13-15-7-2-4-9-17(15)21-11-5-10-20-21/h1-11,19H,12-13H2
InChIKeyQUBUOAIEVKEFQF-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]phenol
CID 47067947
N-[(5-bromothiophen-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167302
N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 115682527
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 51089946
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61166542
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine (CID 61167301) is N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine is Fc1ccccc1CNCc1ccccc1-n1cccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The InChIKey is QUBUOAIEVKEFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-16-8-3-1-6-14(16)12-19-13-15-7-2-4-9-17(15)21-11-5-10-20-21/h1-11,19H,12-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 61167301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).