N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine

C8H14FN3 — CID 83816269

IUPACN-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCCNC(CF)c1cc(C)[nH]n1
InChIInChI=1S/C8H14FN3/c1-3-10-8(5-9)7-4-6(2)11-12-7/h4,8,10H,3,5H2,1-2H3,(H,11,12)
InChIKeyQIFWMPZKRSWOQF-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.34
Rot. Bonds4

About N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine

N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine (PubChem CID 83816269) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine
PubChem CID83816269
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC NameN-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine
SMILESCCNC(CF)c1cc(C)[nH]n1
InChIInChI=1S/C8H14FN3/c1-3-10-8(5-9)7-4-6(2)11-12-7/h4,8,10H,3,5H2,1-2H3,(H,11,12)
InChIKeyQIFWMPZKRSWOQF-UHFFFAOYSA-N
XLogP1.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine (CID 83816269) is N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine is CCNC(CF)c1cc(C)[nH]n1.
What is the InChIKey of N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
The InChIKey is QIFWMPZKRSWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-3-10-8(5-9)7-4-6(2)11-12-7/h4,8,10H,3,5H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine?
N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine has a molecular weight of 171.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-1-(5-methyl-1H-pyrazol-3-yl)ethanamine is sourced from PubChem (CID 83816269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).