methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate

C12H17N3O3 — CID 79834097

IUPACmethyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccnn1C
InChIInChI=1S/C12H17N3O3/c1-14-9(6-7-13-14)11(16)15-8-4-3-5-10(15)12(17)18-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyBDOSTWOKKQPIPQ-SNVBAGLBSA-N
MW251.29 g/mol
LogP0.59
Rot. Bonds2

About methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate (PubChem CID 79834097) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
PubChem CID79834097
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccnn1C
InChIInChI=1S/C12H17N3O3/c1-14-9(6-7-13-14)11(16)15-8-4-3-5-10(15)12(17)18-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyBDOSTWOKKQPIPQ-SNVBAGLBSA-N
XLogP0.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
1-(2-methylpyrazole-3-carbonyl)azetidine-2-carboxylic acid
CID 131052375
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
CID 115535701
methyl 1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43409912
methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 101252038
methyl (2S)-1-(3-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 139728189
methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
CID 79833940
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate (CID 79834097) is methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1ccnn1C.
What is the InChIKey of methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is BDOSTWOKKQPIPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-9(6-7-13-14)11(16)15-8-4-3-5-10(15)12(17)18-2/h6-7,10H,3-5,8H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79834097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).