1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride

C7H7ClF2N4 — CID 67500182

IUPAC1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
SMILESCl.FC(F)n1cc(-c2cnc[nH]2)cn1
InChIInChI=1S/C7H6F2N4.ClH/c8-7(9)13-3-5(1-12-13)6-2-10-4-11-6;/h1-4,7H,(H,10,11);1H
InChIKeyLRDSIZHOJOKVLA-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.09
Rot. Bonds2

About 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride

1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride (PubChem CID 67500182) has the molecular formula C7H7ClF2N4 and a molecular weight of 220.61 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
PubChem CID67500182
Molecular FormulaC7H7ClF2N4
Molecular Weight220.61 g/mol
Exact Mass220.03
IUPAC Name1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
SMILESCl.FC(F)n1cc(-c2cnc[nH]2)cn1
InChIInChI=1S/C7H6F2N4.ClH/c8-7(9)13-3-5(1-12-13)6-2-10-4-11-6;/h1-4,7H,(H,10,11);1H
InChIKeyLRDSIZHOJOKVLA-UHFFFAOYSA-N
XLogP2.09
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride (CID 67500182) is 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride is Cl.FC(F)n1cc(-c2cnc[nH]2)cn1.
What is the InChIKey of 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
The InChIKey is LRDSIZHOJOKVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4.ClH/c8-7(9)13-3-5(1-12-13)6-2-10-4-11-6;/h1-4,7H,(H,10,11);1H.
What are the key properties of 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride has a molecular weight of 220.61 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride is sourced from PubChem (CID 67500182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).