tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate

C14H17N3O3 — CID 168921290

IUPACtert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate
SMILESCOc1nn(C(=O)OC(C)(C)C)cc1-c1ccccn1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)20-13(18)17-9-10(12(16-17)19-4)11-7-5-6-8-15-11/h5-9H,1-4H3
InChIKeyOBVASKMUXRKZFG-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate

tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate (PubChem CID 168921290) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate
PubChem CID168921290
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nametert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate
SMILESCOc1nn(C(=O)OC(C)(C)C)cc1-c1ccccn1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)20-13(18)17-9-10(12(16-17)19-4)11-7-5-6-8-15-11/h5-9H,1-4H3
InChIKeyOBVASKMUXRKZFG-UHFFFAOYSA-N
XLogP2.74
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3,4-dimethylpyrazole-1-carboxylate
CID 89010836
[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl]boronic acid
CID 140889370
tert-butyl 3-methyl-4-[4-oxo-2-pyridin-2-yl-3-(2-trimethylsilylethoxymethyl)thieno[3,2-d]pyrimidin-6-yl]pyrazole-1-carboxylate
CID 71147034
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
tert-butyl 3-cyclopropyl-4-phenylpyrazole-1-carboxylate
CID 166993825
tert-butyl 5-methyl-4-pyridin-2-yl-2H-pyrimidine-1-carboxylate
CID 141465197
tert-butyl 2-(4-methyl-3-pyridin-2-ylpyrazol-1-yl)acetate
CID 146648401
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 175217445
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate (CID 168921290) is tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate is COc1nn(C(=O)OC(C)(C)C)cc1-c1ccccn1.
What is the InChIKey of tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate?
The InChIKey is OBVASKMUXRKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)20-13(18)17-9-10(12(16-17)19-4)11-7-5-6-8-15-11/h5-9H,1-4H3.
What are the key properties of tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate?
tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxy-4-pyridin-2-ylpyrazole-1-carboxylate is sourced from PubChem (CID 168921290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).