1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C16H21F2N3 — CID 105142044

IUPAC1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1c(C)nn(C)c1C)c1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-10-15(11(2)21(4)20-10)5-6-16(19-3)12-7-13(17)9-14(18)8-12/h7-9,16,19H,5-6H2,1-4H3
InChIKeyZHZAAXZHGRAFGW-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds5

About 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105142044) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105142044
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1c(C)nn(C)c1C)c1cc(F)cc(F)c1
InChIInChI=1S/C16H21F2N3/c1-10-15(11(2)21(4)20-10)5-6-16(19-3)12-7-13(17)9-14(18)8-12/h7-9,16,19H,5-6H2,1-4H3
InChIKeyZHZAAXZHGRAFGW-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105288178
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061
N-methyl-1-(3-methyltriazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105184598
1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105080417
[1-(4-fluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105302658
1-(cyclohepten-1-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657055
1-(3,5-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105141947
6,6,6-trifluoro-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105156384
[1-(2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105292407
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105142044) is 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CNC(CCc1c(C)nn(C)c1C)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is ZHZAAXZHGRAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-10-15(11(2)21(4)20-10)5-6-16(19-3)12-7-13(17)9-14(18)8-12/h7-9,16,19H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105142044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).