2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

C6H8F3N3 — CID 55252177

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-4(1-2-10)3-11-12-5/h3H,1-2,10H2,(H,11,12)
InChIKeyIPZKOONQYJGHSW-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.93
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 55252177) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID55252177
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-4(1-2-10)3-11-12-5/h3H,1-2,10H2,(H,11,12)
InChIKeyIPZKOONQYJGHSW-UHFFFAOYSA-N
XLogP0.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2795925
3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 2736943
(3-methyl-1H-pyrazol-4-yl)methanamine
CID 1417882
4-methyl-5-(propan-2-yl)-1H-pyrazole
CID 3815893
5-methyl-4-propan-2-yl-1H-pyrazole
CID 14550004
3,4-Bis(trifluoromethyl)-1H-pyrazole
CID 18006160
3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 59018939
1-(4-ethyl-1H-pyrazol-5-yl)methanamine
CID 84106866
(4-(propan-2-yl)-1H-pyrazol-5-yl)methanamine
CID 84106978
(4-cyclopropyl-1H-pyrazol-3-yl)methanamine
CID 105422535
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-amine hydrochloride
CID 167737191
2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride
CID 170914659

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (CID 55252177) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is NCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is IPZKOONQYJGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)5-4(1-2-10)3-11-12-5/h3H,1-2,10H2,(H,11,12).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 179.14 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 55252177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).