6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine

C12H15FN4O — CID 104705470

IUPAC6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCOc1c(CNc2cccc(F)n2)c(C)nn1C
InChIInChI=1S/C12H15FN4O/c1-8-9(12(18-3)17(2)16-8)7-14-11-6-4-5-10(13)15-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyPRZNBZGINWKUPG-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.88
Rot. Bonds4

About 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine

6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 104705470) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID104705470
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCOc1c(CNc2cccc(F)n2)c(C)nn1C
InChIInChI=1S/C12H15FN4O/c1-8-9(12(18-3)17(2)16-8)7-14-11-6-4-5-10(13)15-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyPRZNBZGINWKUPG-UHFFFAOYSA-N
XLogP1.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 104705470) is 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is COc1c(CNc2cccc(F)n2)c(C)nn1C.
What is the InChIKey of 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is PRZNBZGINWKUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-8-9(12(18-3)17(2)16-8)7-14-11-6-4-5-10(13)15-11/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 250.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104705470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).