5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride

C4H5ClF3N3 — CID 53408337

IUPAC5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,(H3,8,9,10);1H
InChIKeyWHPUBYZDGHLJAW-UHFFFAOYSA-N
MW187.55 g/mol
LogP1.43
Rot. Bonds

About 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride

5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride (PubChem CID 53408337) has the molecular formula C4H5ClF3N3 and a molecular weight of 187.55 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
PubChem CID53408337
Molecular FormulaC4H5ClF3N3
Molecular Weight187.55 g/mol
Exact Mass187.01
IUPAC Name5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,(H3,8,9,10);1H
InChIKeyWHPUBYZDGHLJAW-UHFFFAOYSA-N
XLogP1.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.55
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride (CID 53408337) is 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride is Cl.Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is WHPUBYZDGHLJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3.ClH/c5-4(6,7)2-1-3(8)10-9-2;/h1H,(H3,8,9,10);1H.
What are the key properties of 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride?
5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 187.55 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 53408337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).