6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine

C9H9F2N5O — CID 164537206

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine
SMILESCOc1cc(N)nnc1-c1cnn(C(F)F)c1
InChIInChI=1S/C9H9F2N5O/c1-17-6-2-7(12)14-15-8(6)5-3-13-16(4-5)9(10)11/h2-4,9H,1H3,(H2,12,14)
InChIKeyOZESJSXTDAJHTA-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.33
Rot. Bonds3

About 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine

6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine (PubChem CID 164537206) has the molecular formula C9H9F2N5O and a molecular weight of 241.20 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine
PubChem CID164537206
Molecular FormulaC9H9F2N5O
Molecular Weight241.20 g/mol
Exact Mass241.08
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine
SMILESCOc1cc(N)nnc1-c1cnn(C(F)F)c1
InChIInChI=1S/C9H9F2N5O/c1-17-6-2-7(12)14-15-8(6)5-3-13-16(4-5)9(10)11/h2-4,9H,1H3,(H2,12,14)
InChIKeyOZESJSXTDAJHTA-UHFFFAOYSA-N
XLogP1.33
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine (CID 164537206) is 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine is COc1cc(N)nnc1-c1cnn(C(F)F)c1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine?
The InChIKey is OZESJSXTDAJHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O/c1-17-6-2-7(12)14-15-8(6)5-3-13-16(4-5)9(10)11/h2-4,9H,1H3,(H2,12,14).
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine?
6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine has a molecular weight of 241.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-5-methoxypyridazin-3-amine is sourced from PubChem (CID 164537206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).