methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate

C11H14N6O3 — CID 168657056

IUPACmethyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C11H14N6O3/c1-16-10(8(5-14-16)11(19)20-2)17-6-7(3-9(17)18)4-13-15-12/h5,7H,3-4,6H2,1-2H3
InChIKeyGVLNLORCAUKMJZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.87
Rot. Bonds4

About methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate

methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate (PubChem CID 168657056) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
PubChem CID168657056
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Namemethyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C11H14N6O3/c1-16-10(8(5-14-16)11(19)20-2)17-6-7(3-9(17)18)4-13-15-12/h5,7H,3-4,6H2,1-2H3
InChIKeyGVLNLORCAUKMJZ-UHFFFAOYSA-N
XLogP0.87
TPSA113.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Methyl 5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 168676306
Methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate
CID 168714710
Ethyl 1-acetyl-3-(diacetylamino)pyrazole-4-carboxylate
CID 102274636
Methyl 3-[(2-chloroacetyl)-methylamino]-1-methylpyrazole-4-carboxylate
CID 15575079
1-formyl-2,3-dihydro-7-ethoxycarbonyl-1H-imidazo[1,2-b]pyrazole
CID 18955287
Ethyl 1-butyl-3-(dimethylcarbamoylamino)pyrazole-4-carboxylate
CID 57205958
Ethyl 5-({[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]acetyl} amino)-1-methyl-1H-pyrazole-4-carboxylate
CID 70354698
ethyl 5-{[((3S)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-3-pyrrolidinyl)acetyl]amino}-1-methyl-1H-pyrazole-4-carboxylate
CID 70354917
Ethyl 5-[[2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 77831521
Ethyl 1-methyl-5-[[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetyl]amino]pyrazole-4-carboxylate
CID 77831570
ethyl 5-{[((3R)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-3-pyrrolidinyl)acetyl]amino}-1-methyl-1H-pyrazole-4-carboxylate
CID 86702247
5-[Acetyl(methyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 89062138

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate (CID 168657056) is methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
The InChIKey is GVLNLORCAUKMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-16-10(8(5-14-16)11(19)20-2)17-6-7(3-9(17)18)4-13-15-12/h5,7H,3-4,6H2,1-2H3.
What are the key properties of methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate has a molecular weight of 278.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 168657056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).