1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine

C10H11FN4O — CID 168935828

IUPAC1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine
SMILESCOc1nc(F)ccc1Cn1cc(N)cn1
InChIInChI=1S/C10H11FN4O/c1-16-10-7(2-3-9(11)14-10)5-15-6-8(12)4-13-15/h2-4,6H,5,12H2,1H3
InChIKeyKCPHYTBEUKJYSO-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.06
Rot. Bonds3

About 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine

1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine (PubChem CID 168935828) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine
PubChem CID168935828
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine
SMILESCOc1nc(F)ccc1Cn1cc(N)cn1
InChIInChI=1S/C10H11FN4O/c1-16-10-7(2-3-9(11)14-10)5-15-6-8(12)4-13-15/h2-4,6H,5,12H2,1H3
InChIKeyKCPHYTBEUKJYSO-UHFFFAOYSA-N
XLogP1.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.06
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 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine (CID 168935828) is 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine is COc1nc(F)ccc1Cn1cc(N)cn1.
What is the InChIKey of 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine?
The InChIKey is KCPHYTBEUKJYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-16-10-7(2-3-9(11)14-10)5-15-6-8(12)4-13-15/h2-4,6H,5,12H2,1H3.
What are the key properties of 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine?
1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine has a molecular weight of 222.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-methoxy-3-pyridinyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 168935828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).