5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid

C15H24N4O2 — CID 116632340

IUPAC5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(Cc1c(C(=O)O)cnn1C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4O2/c1-3-19(12-6-10-4-5-11(7-12)17-10)9-14-13(15(20)21)8-16-18(14)2/h8,10-12,17H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyXYRJZLSLFGXQPQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.22
Rot. Bonds5

About 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid

5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 116632340) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID116632340
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(Cc1c(C(=O)O)cnn1C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H24N4O2/c1-3-19(12-6-10-4-5-11(7-12)17-10)9-14-13(15(20)21)8-16-18(14)2/h8,10-12,17H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyXYRJZLSLFGXQPQ-UHFFFAOYSA-N
XLogP1.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid with MolForge

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Related Compounds

5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631752
1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632376
1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631898
1-methyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631998
5-[[cyclobutylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632078
1-methyl-5-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632447
5-[[butyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631717
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66133909
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
1-methyl-5-[[methyl(pentan-3-yl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631806

Frequently Asked Questions

What is the IUPAC name of 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid (CID 116632340) is 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid is CCN(Cc1c(C(=O)O)cnn1C)C1CC2CCC(C1)N2.
What is the InChIKey of 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is XYRJZLSLFGXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(12-6-10-4-5-11(7-12)17-10)9-14-13(15(20)21)8-16-18(14)2/h8,10-12,17H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 116632340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).