5-(trifluoromethyl)-1H-pyrazole;hydrochloride

C4H4ClF3N2 — CID 142631997

IUPAC5-(trifluoromethyl)-1H-pyrazole;hydrochloride
SMILESCl.FC(F)(F)c1ccn[nH]1
InChIInChI=1S/C4H3F3N2.ClH/c5-4(6,7)3-1-2-8-9-3;/h1-2H,(H,8,9);1H
InChIKeyPYIDZRFNLMQYLV-UHFFFAOYSA-N
MW172.54 g/mol
LogP1.85
Rot. Bonds

About 5-(trifluoromethyl)-1H-pyrazole;hydrochloride

5-(trifluoromethyl)-1H-pyrazole;hydrochloride (PubChem CID 142631997) has the molecular formula C4H4ClF3N2 and a molecular weight of 172.54 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazole;hydrochloride
PubChem CID142631997
Molecular FormulaC4H4ClF3N2
Molecular Weight172.54 g/mol
Exact Mass172.00
IUPAC Name5-(trifluoromethyl)-1H-pyrazole;hydrochloride
SMILESCl.FC(F)(F)c1ccn[nH]1
InChIInChI=1S/C4H3F3N2.ClH/c5-4(6,7)3-1-2-8-9-3;/h1-2H,(H,8,9);1H
InChIKeyPYIDZRFNLMQYLV-UHFFFAOYSA-N
XLogP1.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrazole;hydrochloride?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazole;hydrochloride (CID 142631997) is 5-(trifluoromethyl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazole;hydrochloride is Cl.FC(F)(F)c1ccn[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazole;hydrochloride?
The InChIKey is PYIDZRFNLMQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2.ClH/c5-4(6,7)3-1-2-8-9-3;/h1-2H,(H,8,9);1H.
What are the key properties of 5-(trifluoromethyl)-1H-pyrazole;hydrochloride?
5-(trifluoromethyl)-1H-pyrazole;hydrochloride has a molecular weight of 172.54 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 142631997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).