3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine

C16H22FN3 — CID 79439308

IUPAC3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCCn1nc(C)cc1CC(CNC)c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-4-20-14(9-12(2)19-20)10-13(11-18-3)15-7-5-6-8-16(15)17/h5-9,13,18H,4,10-11H2,1-3H3
InChIKeyKDKKLTKUTJXWAA-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.90
Rot. Bonds6

About 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine

3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79439308) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79439308
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCCn1nc(C)cc1CC(CNC)c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-4-20-14(9-12(2)19-20)10-13(11-18-3)15-7-5-6-8-16(15)17/h5-9,13,18H,4,10-11H2,1-3H3
InChIKeyKDKKLTKUTJXWAA-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79434400
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105318994
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
2-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 111566211
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204664
1-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105150858
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439464
[1-(2-ethyl-5-methylpyrazol-3-yl)-4-phenylbutan-2-yl]hydrazine
CID 105205592
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine (CID 79439308) is 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine is CCn1nc(C)cc1CC(CNC)c1ccccc1F.
What is the InChIKey of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is KDKKLTKUTJXWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-20-14(9-12(2)19-20)10-13(11-18-3)15-7-5-6-8-16(15)17/h5-9,13,18H,4,10-11H2,1-3H3.
What are the key properties of 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79439308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).