2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine

C16H22FN3 — CID 79224863

IUPAC2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(-c2cccc(F)c2)c(CC)c1CCNC
InChIInChI=1S/C16H22FN3/c1-4-15-14(9-10-18-3)16(5-2)20(19-15)13-8-6-7-12(17)11-13/h6-8,11,18H,4-5,9-10H2,1-3H3
InChIKeyWSWQZUMPFMHMMF-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.90
Rot. Bonds6

About 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine

2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 79224863) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID79224863
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(-c2cccc(F)c2)c(CC)c1CCNC
InChIInChI=1S/C16H22FN3/c1-4-15-14(9-10-18-3)16(5-2)20(19-15)13-8-6-7-12(17)11-13/h6-8,11,18H,4-5,9-10H2,1-3H3
InChIKeyWSWQZUMPFMHMMF-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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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine (CID 79224863) is 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine is CCc1nn(-c2cccc(F)c2)c(CC)c1CCNC.
What is the InChIKey of 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is WSWQZUMPFMHMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-15-14(9-10-18-3)16(5-2)20(19-15)13-8-6-7-12(17)11-13/h6-8,11,18H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine?
2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine 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 2-[3,5-diethyl-1-(3-fluorophenyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79224863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).