3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C13H17N3O3 — CID 166520449

IUPAC3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CC3C(C2)C3C(=O)O)n[nH]1
InChIInChI=1S/C13H17N3O3/c1-6(2)9-3-10(15-14-9)12(17)16-4-7-8(5-16)11(7)13(18)19/h3,6-8,11H,4-5H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyIRKGYKGTQSCYSH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.94
Rot. Bonds3

About 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 166520449) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID166520449
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CC3C(C2)C3C(=O)O)n[nH]1
InChIInChI=1S/C13H17N3O3/c1-6(2)9-3-10(15-14-9)12(17)16-4-7-8(5-16)11(7)13(18)19/h3,6-8,11H,4-5H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyIRKGYKGTQSCYSH-UHFFFAOYSA-N
XLogP0.94
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Related Compounds

(4-methylthiophen-2-yl)-[3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 167524597
(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 124681565
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
[6-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 167524533
(3S,4R)-4-(2-methoxyphenyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 70736197
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
(1R,2S,9R)-11-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56918570
[(1S,5R)-6-[4-(4-ethylphenyl)-5-methyl-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 175860924
(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175860922
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
[(1S,2R,3R,6R,7R)-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 124830226

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 166520449) is 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is CC(C)c1cc(C(=O)N2CC3C(C2)C3C(=O)O)n[nH]1.
What is the InChIKey of 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is IRKGYKGTQSCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-6(2)9-3-10(15-14-9)12(17)16-4-7-8(5-16)11(7)13(18)19/h3,6-8,11H,4-5H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 166520449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).