butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

C15H19N3O2 — CID 55703799

IUPACbutyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCCCCOC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C15H19N3O2/c1-4-5-8-20-15(19)13-6-7-14(16-10-13)18-12(3)9-11(2)17-18/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKCSWODDVVNCNRY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.84
Rot. Bonds5

About butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate (PubChem CID 55703799) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namebutyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
PubChem CID55703799
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namebutyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCCCCOC(=O)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C15H19N3O2/c1-4-5-8-20-15(19)13-6-7-14(16-10-13)18-12(3)9-11(2)17-18/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKCSWODDVVNCNRY-UHFFFAOYSA-N
XLogP2.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(butylamino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704701
2-(3-bromophenoxy)ethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644722
(2-oxo-2-propan-2-yloxyethyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704824
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847
(2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644962
(3-chlorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428242
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55645010
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55705000
1,3-benzothiazol-2-ylmethyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55645662
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704157
heptyl 6-methylpyridine-3-carboxylate
CID 122397827

Frequently Asked Questions

What is the IUPAC name of butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate (CID 55703799) is butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate is CCCCOC(=O)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
The InChIKey is KCSWODDVVNCNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-5-8-20-15(19)13-6-7-14(16-10-13)18-12(3)9-11(2)17-18/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate?
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 55703799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).