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

C12H13F2N3 — CID 105150850

IUPAC(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2F)n(C)n1
InChIInChI=1S/C12H13F2N3/c1-7-6-10(17(2)16-7)12(15)8-4-3-5-9(13)11(8)14/h3-6,12H,15H2,1-2H3
InChIKeyBNIPOQZKZHPDTI-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.05
Rot. Bonds2

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

(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine (PubChem CID 105150850) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
PubChem CID105150850
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2F)n(C)n1
InChIInChI=1S/C12H13F2N3/c1-7-6-10(17(2)16-7)12(15)8-4-3-5-9(13)11(8)14/h3-6,12H,15H2,1-2H3
InChIKeyBNIPOQZKZHPDTI-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
CID 105141854
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105150858
(2,3-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 55101767
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 105150847
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine (CID 105150850) is (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine is Cc1cc(C(N)c2cccc(F)c2F)n(C)n1.
What is the InChIKey of (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
The InChIKey is BNIPOQZKZHPDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-6-10(17(2)16-7)12(15)8-4-3-5-9(13)11(8)14/h3-6,12H,15H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine has a molecular weight of 237.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105150850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).