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

C5H7ClF3N3 — CID 70816585

IUPAC[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3.ClH/c6-5(7,8)4-1-3(2-9)10-11-4;/h1H,2,9H2,(H,10,11);1H
InChIKeyOJNDQEHLEMAHFF-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.31
Rot. Bonds1

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

[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride (PubChem CID 70816585) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride
PubChem CID70816585
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H6F3N3.ClH/c6-5(7,8)4-1-3(2-9)10-11-4;/h1H,2,9H2,(H,10,11);1H
InChIKeyOJNDQEHLEMAHFF-UHFFFAOYSA-N
XLogP1.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.31
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;hydrochloride?
The IUPAC name of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride (CID 70816585) is [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride is Cl.NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride?
The InChIKey is OJNDQEHLEMAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.ClH/c6-5(7,8)4-1-3(2-9)10-11-4;/h1H,2,9H2,(H,10,11);1H.
What are the key properties of [3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride?
[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 1.31, 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;hydrochloride is sourced from PubChem (CID 70816585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).