(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine

C16H13F2N3 — CID 107330561

IUPAC(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13F2N3/c17-12-8-11(9-13(18)10-12)16(19)15-6-7-20-21(15)14-4-2-1-3-5-14/h1-10,16H,19H2
InChIKeyYKNHZKZIFGXFEG-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds3

About (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine

(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107330561) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107330561
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13F2N3/c17-12-8-11(9-13(18)10-12)16(19)15-6-7-20-21(15)14-4-2-1-3-5-14/h1-10,16H,19H2
InChIKeyYKNHZKZIFGXFEG-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330605
(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332044
(6-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332063
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
(2-methylfuran-3-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330866
(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332136
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991
(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331981
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine (CID 107330561) is (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine is NC(c1cc(F)cc(F)c1)c1ccnn1-c1ccccc1.
What is the InChIKey of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is YKNHZKZIFGXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-12-8-11(9-13(18)10-12)16(19)15-6-7-20-21(15)14-4-2-1-3-5-14/h1-10,16H,19H2.
What are the key properties of (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 285.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107330561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).