2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

C17H15F2N3 — CID 83987309

IUPAC2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESNCC(c1cc(-c2ccccc2)n[nH]1)c1cc(F)ccc1F
InChIInChI=1S/C17H15F2N3/c18-12-6-7-15(19)13(8-12)14(10-20)17-9-16(21-22-17)11-4-2-1-3-5-11/h1-9,14H,10,20H2,(H,21,22)
InChIKeyBMGOXFQUAVAJPQ-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.45
Rot. Bonds4

About 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine

2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83987309) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
PubChem CID83987309
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
SMILESNCC(c1cc(-c2ccccc2)n[nH]1)c1cc(F)ccc1F
InChIInChI=1S/C17H15F2N3/c18-12-6-7-15(19)13(8-12)14(10-20)17-9-16(21-22-17)11-4-2-1-3-5-11/h1-9,14H,10,20H2,(H,21,22)
InChIKeyBMGOXFQUAVAJPQ-UHFFFAOYSA-N
XLogP3.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine
CID 83987184
2-(4-chlorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986388
2-(1-methylindol-3-yl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987634
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
CID 83987278
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46588913
2-(4-methoxy-3-methylphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83986834
2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534397
2-amino-1-(2,5-difluorophenyl)ethanethiol
CID 116868604
(S)-(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine
CID 51976278
2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105494091
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine (CID 83987309) is 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is NCC(c1cc(-c2ccccc2)n[nH]1)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is BMGOXFQUAVAJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c18-12-6-7-15(19)13(8-12)14(10-20)17-9-16(21-22-17)11-4-2-1-3-5-11/h1-9,14H,10,20H2,(H,21,22).
What are the key properties of 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine?
2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 299.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83987309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).