1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine

C12H16N4O — CID 86711514

IUPAC1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(C(C)C)cc2N)cn1
InChIInChI=1S/C12H16N4O/c1-8(2)10-6-11(13)16(15-10)9-4-5-12(17-3)14-7-9/h4-8H,13H2,1-3H3
InChIKeyFBUFXKHEPHHMSR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.98
Rot. Bonds3

About 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine

1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 86711514) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine
PubChem CID86711514
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(C(C)C)cc2N)cn1
InChIInChI=1S/C12H16N4O/c1-8(2)10-6-11(13)16(15-10)9-4-5-12(17-3)14-7-9/h4-8H,13H2,1-3H3
InChIKeyFBUFXKHEPHHMSR-UHFFFAOYSA-N
XLogP1.98
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine (CID 86711514) is 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine is COc1ccc(-n2nc(C(C)C)cc2N)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is FBUFXKHEPHHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)10-6-11(13)16(15-10)9-4-5-12(17-3)14-7-9/h4-8H,13H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine?
1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 232.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 86711514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).