[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate

C13H15N3O3 — CID 97136672

IUPAC[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
SMILESCOc1ncccc1C(=O)O[C@H](C)Cn1cccn1
InChIInChI=1S/C13H15N3O3/c1-10(9-16-8-4-7-15-16)19-13(17)11-5-3-6-14-12(11)18-2/h3-8,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyNMSCEUMCNXZHRU-SNVBAGLBSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds5

About [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate

[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate (PubChem CID 97136672) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
PubChem CID97136672
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
SMILESCOc1ncccc1C(=O)O[C@H](C)Cn1cccn1
InChIInChI=1S/C13H15N3O3/c1-10(9-16-8-4-7-15-16)19-13(17)11-5-3-6-14-12(11)18-2/h3-8,10H,9H2,1-2H3/t10-/m1/s1
InChIKeyNMSCEUMCNXZHRU-SNVBAGLBSA-N
XLogP1.53
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
CID 97088036
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
CID 96534914
[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
CID 71974732
1-pyrazol-1-ylpropan-2-yl 4-nitrobenzoate
CID 71974723
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71859584
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
CID 105130385
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate?
The IUPAC name of [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate (CID 97136672) is [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate.
What is the SMILES notation for [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate?
The canonical SMILES for [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate is COc1ncccc1C(=O)O[C@H](C)Cn1cccn1.
What is the InChIKey of [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate?
The InChIKey is NMSCEUMCNXZHRU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-10(9-16-8-4-7-15-16)19-13(17)11-5-3-6-14-12(11)18-2/h3-8,10H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate?
[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 97136672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).