2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine

C8H13F2N3 — CID 106757996

IUPAC2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCC(F)F)c1ccnn1C
InChIInChI=1S/C8H13F2N3/c1-6(11-5-8(9)10)7-3-4-12-13(7)2/h3-4,6,8,11H,5H2,1-2H3
InChIKeyATWXAABHTJUHET-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.34
Rot. Bonds4

About 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine

2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 106757996) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID106757996
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCC(NCC(F)F)c1ccnn1C
InChIInChI=1S/C8H13F2N3/c1-6(11-5-8(9)10)7-3-4-12-13(7)2/h3-4,6,8,11H,5H2,1-2H3
InChIKeyATWXAABHTJUHET-UHFFFAOYSA-N
XLogP1.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 106758117
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine (CID 106757996) is 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine is CC(NCC(F)F)c1ccnn1C.
What is the InChIKey of 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is ATWXAABHTJUHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-6(11-5-8(9)10)7-3-4-12-13(7)2/h3-4,6,8,11H,5H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 189.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 106757996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).