1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride

C4H5ClF2IN3 — CID 171145568

IUPAC1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(C(F)F)cc1I
InChIInChI=1S/C4H4F2IN3.ClH/c5-4(6)10-1-2(7)3(8)9-10;/h1,4H,(H2,8,9);1H
InChIKeyVEMXKVCCFUXWJB-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.89
Rot. Bonds1

About 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride

1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride (PubChem CID 171145568) has the molecular formula C4H5ClF2IN3 and a molecular weight of 295.46 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride
PubChem CID171145568
Molecular FormulaC4H5ClF2IN3
Molecular Weight295.46 g/mol
Exact Mass294.92
IUPAC Name1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride
SMILESCl.Nc1nn(C(F)F)cc1I
InChIInChI=1S/C4H4F2IN3.ClH/c5-4(6)10-1-2(7)3(8)9-10;/h1,4H,(H2,8,9);1H
InChIKeyVEMXKVCCFUXWJB-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride (CID 171145568) is 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride is Cl.Nc1nn(C(F)F)cc1I.
What is the InChIKey of 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride?
The InChIKey is VEMXKVCCFUXWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2IN3.ClH/c5-4(6)10-1-2(7)3(8)9-10;/h1,4H,(H2,8,9);1H.
What are the key properties of 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride?
1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride has a molecular weight of 295.46 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride is sourced from PubChem (CID 171145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).