N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C16H22FN3 — CID 103030390

IUPACN-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)c1ccc(C)cc1F
InChIInChI=1S/C16H22FN3/c1-4-18-16(8-6-13-9-10-19-20(13)3)14-7-5-12(2)11-15(14)17/h5,7,9-11,16,18H,4,6,8H2,1-3H3
InChIKeyXQPUYSHHYDMQHY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030390) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030390
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)c1ccc(C)cc1F
InChIInChI=1S/C16H22FN3/c1-4-18-16(8-6-13-9-10-19-20(13)3)14-7-5-12(2)11-15(14)17/h5,7,9-11,16,18H,4,6,8H2,1-3H3
InChIKeyXQPUYSHHYDMQHY-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103010217
1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030450
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030441
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
N-ethyl-1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009870
N-ethyl-1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030990
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030515
N-ethyl-3-(2-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103128451
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848474
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
N-ethyl-1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012068

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030390) is N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)c1ccc(C)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is XQPUYSHHYDMQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-18-16(8-6-13-9-10-19-20(13)3)14-7-5-12(2)11-15(14)17/h5,7,9-11,16,18H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).