1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

C15H20FN3 — CID 102803029

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1cn(C)nc1C
InChIInChI=1S/C15H20FN3/c1-4-17-15(14-10-19(3)18-11(14)2)9-12-6-5-7-13(16)8-12/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyCXWKZGALXAEZMS-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.76
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 102803029) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID102803029
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1cn(C)nc1C
InChIInChI=1S/C15H20FN3/c1-4-17-15(14-10-19(3)18-11(14)2)9-12-6-5-7-13(16)8-12/h5-8,10,15,17H,4,9H2,1-3H3
InChIKeyCXWKZGALXAEZMS-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
N-[2-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803108
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102804658

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 102803029) is 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is CXWKZGALXAEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-17-15(14-10-19(3)18-11(14)2)9-12-6-5-7-13(16)8-12/h5-8,10,15,17H,4,9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 102803029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).