2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine

C6H8F3N3 — CID 43124155

IUPAC2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)C(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3/c1-12-3-4(2-11-12)5(10)6(7,8)9/h2-3,5H,10H2,1H3
InChIKeyMPDTYUYXTQCMOL-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.98
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine

2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 43124155) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID43124155
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(C(N)C(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3/c1-12-3-4(2-11-12)5(10)6(7,8)9/h2-3,5H,10H2,1H3
InChIKeyMPDTYUYXTQCMOL-UHFFFAOYSA-N
XLogP0.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine (CID 43124155) is 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(C(N)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is MPDTYUYXTQCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-12-3-4(2-11-12)5(10)6(7,8)9/h2-3,5H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine?
2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 179.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43124155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).