N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine

C15H20FN3 — CID 63977234

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1ccnn1CC
InChIInChI=1S/C15H20FN3/c1-3-17-14(15-8-9-18-19(15)4-2)11-12-6-5-7-13(16)10-12/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyIAVHRNIWHRXFLI-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 63977234) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID63977234
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1ccnn1CC
InChIInChI=1S/C15H20FN3/c1-3-17-14(15-8-9-18-19(15)4-2)11-12-6-5-7-13(16)10-12/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyIAVHRNIWHRXFLI-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071865
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
CID 63975475
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
[1-(2-ethylpyrazol-3-yl)-2-naphthalen-2-ylethyl]hydrazine
CID 105307222

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine (CID 63977234) is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1ccnn1CC.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is IAVHRNIWHRXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-17-14(15-8-9-18-19(15)4-2)11-12-6-5-7-13(16)10-12/h5-10,14,17H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.94, 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-ethylpyrazol-3-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63977234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).