2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H21N3O3 — CID 79611880

IUPAC2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1c(C(=O)N2C3CCC2CC(CC(=O)O)C3)cnn1C
InChIInChI=1S/C15H21N3O3/c1-9-13(8-16-17(9)2)15(21)18-11-3-4-12(18)6-10(5-11)7-14(19)20/h8,10-12H,3-7H2,1-2H3,(H,19,20)
InChIKeyLIFKIWHYLZXTPS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.59
Rot. Bonds3

About 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79611880) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79611880
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1c(C(=O)N2C3CCC2CC(CC(=O)O)C3)cnn1C
InChIInChI=1S/C15H21N3O3/c1-9-13(8-16-17(9)2)15(21)18-11-3-4-12(18)6-10(5-11)7-14(19)20/h8,10-12H,3-7H2,1-2H3,(H,19,20)
InChIKeyLIFKIWHYLZXTPS-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(2-hydroxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79612461
2-[8-(5-methyl-1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615365
1-(1,5-dimethylpyrazole-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 43209912
2-[8-(5-methylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609055
2-[8-(1,2-oxazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 115278684
2-[8-[2-(1-methylpyrazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103004897
2-[8-(1,3-thiazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615352
2-[8-(1,2-oxazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615573
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81042606
4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
CID 79584024
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218

Frequently Asked Questions

What is the IUPAC name of 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79611880) is 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is Cc1c(C(=O)N2C3CCC2CC(CC(=O)O)C3)cnn1C.
What is the InChIKey of 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is LIFKIWHYLZXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-13(8-16-17(9)2)15(21)18-11-3-4-12(18)6-10(5-11)7-14(19)20/h8,10-12H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1,5-dimethylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79611880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).