[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride

C5H8Cl2F3N3 — CID 126796406

IUPAC[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3.2ClH/c6-5(7,8)4-1-3(2-9)10-11-4;;/h1H,2,9H2,(H,10,11);2*1H
InChIKeyUHIMSQVJAQROOR-UHFFFAOYSA-N
MW238.04 g/mol
LogP1.73
Rot. Bonds1

About [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride

[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride (PubChem CID 126796406) has the molecular formula C5H8Cl2F3N3 and a molecular weight of 238.04 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride
PubChem CID126796406
Molecular FormulaC5H8Cl2F3N3
Molecular Weight238.04 g/mol
Exact Mass237.00
IUPAC Name[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3.2ClH/c6-5(7,8)4-1-3(2-9)10-11-4;;/h1H,2,9H2,(H,10,11);2*1H
InChIKeyUHIMSQVJAQROOR-UHFFFAOYSA-N
XLogP1.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride?
The IUPAC name of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride (CID 126796406) is [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride.
What is the SMILES notation for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride?
The canonical SMILES for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride is Cl.Cl.NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride?
The InChIKey is UHIMSQVJAQROOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.2ClH/c6-5(7,8)4-1-3(2-9)10-11-4;;/h1H,2,9H2,(H,10,11);2*1H.
What are the key properties of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride?
[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride has a molecular weight of 238.04 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;dihydrochloride is sourced from PubChem (CID 126796406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).