5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine

C11H14N4O — CID 68843791

IUPAC5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine
SMILESCOc1cccc(CCc2cc(N)n[nH]2)n1
InChIInChI=1S/C11H14N4O/c1-16-11-4-2-3-8(13-11)5-6-9-7-10(12)15-14-9/h2-4,7H,5-6H2,1H3,(H3,12,14,15)
InChIKeyNVDPTIVUNRAXSI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.18
Rot. Bonds4

About 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine

5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 68843791) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine
PubChem CID68843791
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine
SMILESCOc1cccc(CCc2cc(N)n[nH]2)n1
InChIInChI=1S/C11H14N4O/c1-16-11-4-2-3-8(13-11)5-6-9-7-10(12)15-14-9/h2-4,7H,5-6H2,1H3,(H3,12,14,15)
InChIKeyNVDPTIVUNRAXSI-UHFFFAOYSA-N
XLogP1.18
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine (CID 68843791) is 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine is COc1cccc(CCc2cc(N)n[nH]2)n1.
What is the InChIKey of 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is NVDPTIVUNRAXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-11-4-2-3-8(13-11)5-6-9-7-10(12)15-14-9/h2-4,7H,5-6H2,1H3,(H3,12,14,15).
What are the key properties of 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine?
5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methoxy-2-pyridinyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 68843791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).