9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C13H22N4 — CID 63302875

IUPAC9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCn1nccc1CN1C2CCCC1CC(N)C2
InChIInChI=1S/C13H22N4/c1-16-13(5-6-15-16)9-17-11-3-2-4-12(17)8-10(14)7-11/h5-6,10-12H,2-4,7-9,14H2,1H3
InChIKeyWTXQROSWKIFXOM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.26
Rot. Bonds2

About 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63302875) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63302875
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCn1nccc1CN1C2CCCC1CC(N)C2
InChIInChI=1S/C13H22N4/c1-16-13(5-6-15-16)9-17-11-3-2-4-12(17)8-10(14)7-11/h5-6,10-12H,2-4,7-9,14H2,1H3
InChIKeyWTXQROSWKIFXOM-UHFFFAOYSA-N
XLogP1.26
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-cyclohexyl-1H-pyrazol-5-yl)methanamine
CID 105438405
1-((1-Methyl-1H-pyrazol-3-yl)methyl)-1,8-diazaspiro[4.5]decane
CID 118739025
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
2-(6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-amine
CID 121215304
2-(1-Methyl-1H-pyrazol-3-yl)piperidine
CID 50944310
4-Methyl-1-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 75506909
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933
5-Methyl-1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-amine
CID 69281542
1-[(3-Fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine
CID 121433113
1-[[2-(2,2-Difluoroethyl)pyrazol-3-yl]methyl]piperazine
CID 174286889
1-{[1-(difluoromethyl)-1H-pyrazol-5-yl]methyl}piperidin-4-amine
CID 50896773
2-[3-(Trifluoromethyl)pyrazol-1-yl]cyclooctan-1-amine
CID 61631878

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 63302875) is 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cn1nccc1CN1C2CCCC1CC(N)C2.
What is the InChIKey of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WTXQROSWKIFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-13(5-6-15-16)9-17-11-3-2-4-12(17)8-10(14)7-11/h5-6,10-12H,2-4,7-9,14H2,1H3.
What are the key properties of 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63302875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).