(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine

C16H13F2N3 — CID 105150847

IUPAC(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccn(-c2ccccc2)n1)c1cccc(F)c1F
InChIInChI=1S/C16H13F2N3/c17-13-8-4-7-12(15(13)18)16(19)14-9-10-21(20-14)11-5-2-1-3-6-11/h1-10,16H,19H2
InChIKeyDOLBMEKOXIBQPR-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds3

About (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine

(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 105150847) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
PubChem CID105150847
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccn(-c2ccccc2)n1)c1cccc(F)c1F
InChIInChI=1S/C16H13F2N3/c17-13-8-4-7-12(15(13)18)16(19)14-9-10-21(20-14)11-5-2-1-3-6-11/h1-10,16H,19H2
InChIKeyDOLBMEKOXIBQPR-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-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 107130387
(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
CID 106648410
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 105155569
(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine
CID 105150754
(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
CID 105150850
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
2-(3-chlorophenyl)-1-(1-phenylpyrazol-3-yl)ethanamine
CID 105086005
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine (CID 105150847) is (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine is NC(c1ccn(-c2ccccc2)n1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is DOLBMEKOXIBQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-13-8-4-7-12(15(13)18)16(19)14-9-10-21(20-14)11-5-2-1-3-6-11/h1-10,16H,19H2.
What are the key properties of (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine?
(2,3-difluorophenyl)-(1-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 (2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105150847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).