3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H11N3O2 — CID 60791586

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1n[nH]c(C)c1N1C(=O)C2CC2C1=O
InChIInChI=1S/C10H11N3O2/c1-4-8(5(2)12-11-4)13-9(14)6-3-7(6)10(13)15/h6-7H,3H2,1-2H3,(H,11,12)
InChIKeyMXCPQBTUSAWYKD-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.54
Rot. Bonds1

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 60791586) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID60791586
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1n[nH]c(C)c1N1C(=O)C2CC2C1=O
InChIInChI=1S/C10H11N3O2/c1-4-8(5(2)12-11-4)13-9(14)6-3-7(6)10(13)15/h6-7H,3H2,1-2H3,(H,11,12)
InChIKeyMXCPQBTUSAWYKD-UHFFFAOYSA-N
XLogP0.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
CID 61036933
1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
CID 43547645
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 61209255
(3aS,7aR)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19583864
8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
CID 61069648
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115946879
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43547642
2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303367
4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione
CID 43547727
(3aR,4S,7S,7aR)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98273632
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 60791586) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is Cc1n[nH]c(C)c1N1C(=O)C2CC2C1=O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is MXCPQBTUSAWYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-4-8(5(2)12-11-4)13-9(14)6-3-7(6)10(13)15/h6-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 60791586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).