1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine

C9H8F2N4 — CID 90096199

IUPAC1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine
SMILESCc1nc(F)c(-n2ccc(N)n2)cc1F
InChIInChI=1S/C9H8F2N4/c1-5-6(10)4-7(9(11)13-5)15-3-2-8(12)14-15/h2-4H,1H3,(H2,12,14)
InChIKeyMWOSYVPMHBXCFT-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.44
Rot. Bonds1

About 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine

1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine (PubChem CID 90096199) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine
PubChem CID90096199
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine
SMILESCc1nc(F)c(-n2ccc(N)n2)cc1F
InChIInChI=1S/C9H8F2N4/c1-5-6(10)4-7(9(11)13-5)15-3-2-8(12)14-15/h2-4H,1H3,(H2,12,14)
InChIKeyMWOSYVPMHBXCFT-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine?
The IUPAC name of 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine (CID 90096199) is 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine is Cc1nc(F)c(-n2ccc(N)n2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine?
The InChIKey is MWOSYVPMHBXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c1-5-6(10)4-7(9(11)13-5)15-3-2-8(12)14-15/h2-4H,1H3,(H2,12,14).
What are the key properties of 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine?
1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine has a molecular weight of 210.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-6-methyl-3-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 90096199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).