3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine

C12H13N3O — CID 67284292

IUPAC3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine
SMILESC=CCCOc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C12H13N3O/c1-2-3-7-16-11-9-14-15-12(11)10-5-4-6-13-8-10/h2,4-6,8-9H,1,3,7H2,(H,14,15)
InChIKeyWMLIJDOBGHFNHI-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.43
Rot. Bonds5

About 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine

3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine (PubChem CID 67284292) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine
PubChem CID67284292
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine
SMILESC=CCCOc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C12H13N3O/c1-2-3-7-16-11-9-14-15-12(11)10-5-4-6-13-8-10/h2,4-6,8-9H,1,3,7H2,(H,14,15)
InChIKeyWMLIJDOBGHFNHI-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
CID 3321413
(3-but-3-enoxy-4-pyridinyl)methanol
CID 105067106
(E)-N-methoxy-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanimine
CID 167935057
3-[4-[2-(2-methoxyethoxy)ethylsulfanyl]-1H-pyrazol-5-yl]pyridine
CID 67285082
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
CID 81254371
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
6-bromo-8-but-3-enoxyquinoline
CID 163278157
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine?
The IUPAC name of 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine (CID 67284292) is 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine is C=CCCOc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine?
The InChIKey is WMLIJDOBGHFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-3-7-16-11-9-14-15-12(11)10-5-4-6-13-8-10/h2,4-6,8-9H,1,3,7H2,(H,14,15).
What are the key properties of 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine?
3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine has a molecular weight of 215.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 67284292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).