[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine

C16H15ClFN3 — CID 82072730

IUPAC[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2ccc(Cl)cc2)C(c2ccccc2F)C1
InChIInChI=1S/C16H15ClFN3/c17-11-5-7-13(8-6-11)21-16(9-12(10-19)20-21)14-3-1-2-4-15(14)18/h1-8,16H,9-10,19H2
InChIKeyDGMAKLUBKMSQRI-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.75
Rot. Bonds3

About [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine

[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072730) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072730
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESNCC1=NN(c2ccc(Cl)cc2)C(c2ccccc2F)C1
InChIInChI=1S/C16H15ClFN3/c17-11-5-7-13(8-6-11)21-16(9-12(10-19)20-21)14-3-1-2-4-15(14)18/h1-8,16H,9-10,19H2
InChIKeyDGMAKLUBKMSQRI-UHFFFAOYSA-N
XLogP3.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072664
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072736
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
[2-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071807
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071990
[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
CID 82072725
(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82072730) is [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is NCC1=NN(c2ccc(Cl)cc2)C(c2ccccc2F)C1.
What is the InChIKey of [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is DGMAKLUBKMSQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c17-11-5-7-13(8-6-11)21-16(9-12(10-19)20-21)14-3-1-2-4-15(14)18/h1-8,16H,9-10,19H2.
What are the key properties of [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 303.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).