[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

C7H10F3N3 — CID 121213204

IUPAC[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCCc1[nH]nc(C(F)(F)F)c1CN
InChIInChI=1S/C7H10F3N3/c1-2-5-4(3-11)6(13-12-5)7(8,9)10/h2-3,11H2,1H3,(H,12,13)
InChIKeyHXZJKNOAINCDFI-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.45
Rot. Bonds2

About [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine

[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 121213204) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
PubChem CID121213204
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
SMILESCCc1[nH]nc(C(F)(F)F)c1CN
InChIInChI=1S/C7H10F3N3/c1-2-5-4(3-11)6(13-12-5)7(8,9)10/h2-3,11H2,1H3,(H,12,13)
InChIKeyHXZJKNOAINCDFI-UHFFFAOYSA-N
XLogP1.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine (CID 121213204) is [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is CCc1[nH]nc(C(F)(F)F)c1CN.
What is the InChIKey of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is HXZJKNOAINCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-5-4(3-11)6(13-12-5)7(8,9)10/h2-3,11H2,1H3,(H,12,13).
What are the key properties of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine?
[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 121213204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).