5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine

C8H9F2N5O — CID 67795491

IUPAC5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine
SMILESCn1nc(-c2cc(N)n[nH]2)cc1OC(F)F
InChIInChI=1S/C8H9F2N5O/c1-15-7(16-8(9)10)3-5(14-15)4-2-6(11)13-12-4/h2-3,8H,1H3,(H3,11,12,13)
InChIKeyVKAUVYKBHADIEY-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.99
Rot. Bonds3

About 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine

5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine (PubChem CID 67795491) has the molecular formula C8H9F2N5O and a molecular weight of 229.19 g/mol. Its IUPAC name is 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine
PubChem CID67795491
Molecular FormulaC8H9F2N5O
Molecular Weight229.19 g/mol
Exact Mass229.08
IUPAC Name5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine
SMILESCn1nc(-c2cc(N)n[nH]2)cc1OC(F)F
InChIInChI=1S/C8H9F2N5O/c1-15-7(16-8(9)10)3-5(14-15)4-2-6(11)13-12-4/h2-3,8H,1H3,(H3,11,12,13)
InChIKeyVKAUVYKBHADIEY-UHFFFAOYSA-N
XLogP0.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine (CID 67795491) is 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine is Cn1nc(-c2cc(N)n[nH]2)cc1OC(F)F.
What is the InChIKey of 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
The InChIKey is VKAUVYKBHADIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5O/c1-15-7(16-8(9)10)3-5(14-15)4-2-6(11)13-12-4/h2-3,8H,1H3,(H3,11,12,13).
What are the key properties of 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine?
5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine has a molecular weight of 229.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 67795491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).