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

C15H20FN3 — CID 82871545

IUPACN-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCCNCC(Cc1ccn(C)n1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-17-11-12(10-13-8-9-19(2)18-13)14-6-4-5-7-15(14)16/h4-9,12,17H,3,10-11H2,1-2H3
InChIKeyIGPPLYLTPZZLRS-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.49
Rot. Bonds6

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

N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 82871545) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID82871545
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCCNCC(Cc1ccn(C)n1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-3-17-11-12(10-13-8-9-19(2)18-13)14-6-4-5-7-15(14)16/h4-9,12,17H,3,10-11H2,1-2H3
InChIKeyIGPPLYLTPZZLRS-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989
2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82872185
3-[3-chloro-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871988
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
N-ethyl-4-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 82881887
N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79434158
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 82871545) is N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is CCNCC(Cc1ccn(C)n1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is IGPPLYLTPZZLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-17-11-12(10-13-8-9-19(2)18-13)14-6-4-5-7-15(14)16/h4-9,12,17H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 82871545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).