1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C14H17F2N3 — CID 103030616

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCc1ccc(F)c(C(N)CCc2ccnn2C)c1F
InChIInChI=1S/C14H17F2N3/c1-9-3-5-11(15)13(14(9)16)12(17)6-4-10-7-8-18-19(10)2/h3,5,7-8,12H,4,6,17H2,1-2H3
InChIKeyUFSCDHWZKFGIAB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.64
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030616) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030616
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCc1ccc(F)c(C(N)CCc2ccnn2C)c1F
InChIInChI=1S/C14H17F2N3/c1-9-3-5-11(15)13(14(9)16)12(17)6-4-10-7-8-18-19(10)2/h3,5,7-8,12H,4,6,17H2,1-2H3
InChIKeyUFSCDHWZKFGIAB-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030747
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012064
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030616) is 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cc1ccc(F)c(C(N)CCc2ccnn2C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is UFSCDHWZKFGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9-3-5-11(15)13(14(9)16)12(17)6-4-10-7-8-18-19(10)2/h3,5,7-8,12H,4,6,17H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).