1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one

C9H13N7O — CID 168656987

IUPAC1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
SMILESCc1[nH]nc(N2CC(CN=[N+]=[N-])CC2=O)c1N
InChIInChI=1S/C9H13N7O/c1-5-8(10)9(14-13-5)16-4-6(2-7(16)17)3-12-15-11/h6H,2-4,10H2,1H3,(H,13,14)
InChIKeyQGYNOPFHGMFLGL-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.96
Rot. Bonds3

About 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one

1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one (PubChem CID 168656987) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
PubChem CID168656987
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one
SMILESCc1[nH]nc(N2CC(CN=[N+]=[N-])CC2=O)c1N
InChIInChI=1S/C9H13N7O/c1-5-8(10)9(14-13-5)16-4-6(2-7(16)17)3-12-15-11/h6H,2-4,10H2,1H3,(H,13,14)
InChIKeyQGYNOPFHGMFLGL-UHFFFAOYSA-N
XLogP0.96
TPSA123.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyrazole-4-carbonitrile
CID 168656986
1-(3-amino-6-methyl-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168656814
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-1,2,4-triazole-5-carboxylic acid
CID 168658529
4-(azidomethyl)-1-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]pyrrolidin-2-one
CID 168656998
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 168656824

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one (CID 168656987) is 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one is Cc1[nH]nc(N2CC(CN=[N+]=[N-])CC2=O)c1N.
What is the InChIKey of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one?
The InChIKey is QGYNOPFHGMFLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-5-8(10)9(14-13-5)16-4-6(2-7(16)17)3-12-15-11/h6H,2-4,10H2,1H3,(H,13,14).
What are the key properties of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one?
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one has a molecular weight of 235.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-(azidomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168656987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).