5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine

C8H7F2N5 — CID 103294501

IUPAC5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine
SMILESNc1cnn(-c2cccnn2)c1C(F)F
InChIInChI=1S/C8H7F2N5/c9-8(10)7-5(11)4-13-15(7)6-2-1-3-12-14-6/h1-4,8H,11H2
InChIKeyRAFAKTJXTHLFEK-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.18
Rot. Bonds2

About 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine

5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine (PubChem CID 103294501) has the molecular formula C8H7F2N5 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine
PubChem CID103294501
Molecular FormulaC8H7F2N5
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine
SMILESNc1cnn(-c2cccnn2)c1C(F)F
InChIInChI=1S/C8H7F2N5/c9-8(10)7-5(11)4-13-15(7)6-2-1-3-12-14-6/h1-4,8H,11H2
InChIKeyRAFAKTJXTHLFEK-UHFFFAOYSA-N
XLogP1.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine (CID 103294501) is 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine is Nc1cnn(-c2cccnn2)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine?
The InChIKey is RAFAKTJXTHLFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5/c9-8(10)7-5(11)4-13-15(7)6-2-1-3-12-14-6/h1-4,8H,11H2.
What are the key properties of 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine?
5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine has a molecular weight of 211.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-pyridazin-3-ylpyrazol-4-amine is sourced from PubChem (CID 103294501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).