(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

C14H17F2N3 — CID 105175854

IUPAC(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1ccc(F)c(C(N)c2c(C)nn(C)c2C)c1F
InChIInChI=1S/C14H17F2N3/c1-7-5-6-10(15)12(13(7)16)14(17)11-8(2)18-19(4)9(11)3/h5-6,14H,17H2,1-4H3
InChIKeyHPSAUDMUHNSCDX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.67
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105175854) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105175854
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1ccc(F)c(C(N)c2c(C)nn(C)c2C)c1F
InChIInChI=1S/C14H17F2N3/c1-7-5-6-10(15)12(13(7)16)14(17)11-8(2)18-19(4)9(11)3/h5-6,14H,17H2,1-4H3
InChIKeyHPSAUDMUHNSCDX-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
[1-(2,6-difluoro-3-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105330300
(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127986
(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155071
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
1-(3-bromo-2,6-difluorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106944585
[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304935

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105175854) is (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1ccc(F)c(C(N)c2c(C)nn(C)c2C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is HPSAUDMUHNSCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-7-5-6-10(15)12(13(7)16)14(17)11-8(2)18-19(4)9(11)3/h5-6,14H,17H2,1-4H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 265.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105175854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).