4-bromo-1-(difluoromethyl)pyrazol-5-amine

C4H4BrF2N3 — CID 154881945

IUPAC4-bromo-1-(difluoromethyl)pyrazol-5-amine
SMILESNc1c(Br)cnn1C(F)F
InChIInChI=1S/C4H4BrF2N3/c5-2-1-9-10(3(2)8)4(6)7/h1,4H,8H2
InChIKeyOHOWGTIDIMTFOH-UHFFFAOYSA-N
MW212.00 g/mol
LogP1.62
Rot. Bonds1

About 4-bromo-1-(difluoromethyl)pyrazol-5-amine

4-bromo-1-(difluoromethyl)pyrazol-5-amine (PubChem CID 154881945) has the molecular formula C4H4BrF2N3 and a molecular weight of 212.00 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)pyrazol-5-amine
PubChem CID154881945
Molecular FormulaC4H4BrF2N3
Molecular Weight212.00 g/mol
Exact Mass210.96
IUPAC Name4-bromo-1-(difluoromethyl)pyrazol-5-amine
SMILESNc1c(Br)cnn1C(F)F
InChIInChI=1S/C4H4BrF2N3/c5-2-1-9-10(3(2)8)4(6)7/h1,4H,8H2
InChIKeyOHOWGTIDIMTFOH-UHFFFAOYSA-N
XLogP1.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.00
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-bromo-1-(difluoromethyl)pyrazol-5-amine (CID 154881945) is 4-bromo-1-(difluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(difluoromethyl)pyrazol-5-amine is Nc1c(Br)cnn1C(F)F.
What is the InChIKey of 4-bromo-1-(difluoromethyl)pyrazol-5-amine?
The InChIKey is OHOWGTIDIMTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF2N3/c5-2-1-9-10(3(2)8)4(6)7/h1,4H,8H2.
What are the key properties of 4-bromo-1-(difluoromethyl)pyrazol-5-amine?
4-bromo-1-(difluoromethyl)pyrazol-5-amine has a molecular weight of 212.00 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 154881945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).