[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate

C12H13N3O2 — CID 97088036

IUPAC[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
SMILESC[C@@H](Cn1cccn1)OC(=O)c1cccnc1
InChIInChI=1S/C12H13N3O2/c1-10(9-15-7-3-6-14-15)17-12(16)11-4-2-5-13-8-11/h2-8,10H,9H2,1H3/t10-/m0/s1
InChIKeyFAXPNZUQEVXHMJ-JTQLQIEISA-N
MW231.26 g/mol
LogP1.52
Rot. Bonds4

About [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate

[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate (PubChem CID 97088036) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
PubChem CID97088036
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
SMILESC[C@@H](Cn1cccn1)OC(=O)c1cccnc1
InChIInChI=1S/C12H13N3O2/c1-10(9-15-7-3-6-14-15)17-12(16)11-4-2-5-13-8-11/h2-8,10H,9H2,1H3/t10-/m0/s1
InChIKeyFAXPNZUQEVXHMJ-JTQLQIEISA-N
XLogP1.52
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
CID 71974732
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 97136672
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
CID 96534914
ethane;5-methylhexan-3-yl pyridine-3-carboxylate
CID 153333067
[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 96534927
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate (CID 97088036) is [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate is C[C@@H](Cn1cccn1)OC(=O)c1cccnc1.
What is the InChIKey of [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate?
The InChIKey is FAXPNZUQEVXHMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3O2/c1-10(9-15-7-3-6-14-15)17-12(16)11-4-2-5-13-8-11/h2-8,10H,9H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate?
[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate has a molecular weight of 231.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 97088036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).