1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine

C15H19F2N3 — CID 104996017

IUPAC1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1F)Cc1cc(C)nn1C
InChIInChI=1S/C15H19F2N3/c1-10-7-13(20(3)19-10)9-12(18-2)8-11-5-4-6-14(16)15(11)17/h4-7,12,18H,8-9H2,1-3H3
InChIKeyAJGJNKAPKAFXAV-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.38
Rot. Bonds5

About 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine

1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine (PubChem CID 104996017) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
PubChem CID104996017
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1F)Cc1cc(C)nn1C
InChIInChI=1S/C15H19F2N3/c1-10-7-13(20(3)19-10)9-12(18-2)8-11-5-4-6-14(16)15(11)17/h4-7,12,18H,8-9H2,1-3H3
InChIKeyAJGJNKAPKAFXAV-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-2-amine
CID 82787681
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968043
1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66064619
[2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252504
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645
1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 105003817
4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
[1-(2,5-dimethylpyrazol-3-yl)-4-(2-methylphenyl)butan-2-yl]hydrazine
CID 105315719

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine (CID 104996017) is 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine is CNC(Cc1cccc(F)c1F)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is AJGJNKAPKAFXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-10-7-13(20(3)19-10)9-12(18-2)8-11-5-4-6-14(16)15(11)17/h4-7,12,18H,8-9H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine?
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 104996017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).