1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane

C9H13N3 — CID 138040549

IUPAC1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane
SMILESCn1nccc1C12CC(CN1)C2
InChIInChI=1S/C9H13N3/c1-12-8(2-3-11-12)9-4-7(5-9)6-10-9/h2-3,7,10H,4-6H2,1H3
InChIKeyGGDNCXGNPXBZNM-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.63
Rot. Bonds1

About 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane

1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane (PubChem CID 138040549) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane
PubChem CID138040549
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane
SMILESCn1nccc1C12CC(CN1)C2
InChIInChI=1S/C9H13N3/c1-12-8(2-3-11-12)9-4-7(5-9)6-10-9/h2-3,7,10H,4-6H2,1H3
InChIKeyGGDNCXGNPXBZNM-UHFFFAOYSA-N
XLogP0.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylpyrazol-3-yl)cyclopropan-1-ol
CID 79333490
2,3-dimethyl-1-(2-methylpyrazol-3-yl)cyclobutan-1-ol
CID 130725388
4-[1-(2-methylpyrazol-3-yl)cyclopropyl]piperidine
CID 83908828
1-(2-methylpyrazol-3-yl)cyclobutan-1-amine
CID 82594917
5-methyl-1-(2-methylpyrazol-3-yl)-2-propan-2-ylcyclohexan-1-ol
CID 63960927
1-(2-methylpyrazol-3-yl)cycloheptan-1-ol
CID 63961552
5-[(1R,3R,5S,6S)-3,5-dimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-methylpyrazole
CID 125458325
3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 112567552
1-methyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467391
[1-(2-methylpyrazol-3-yl)cyclobutyl]methanamine
CID 82596986
(1R,4R,5R)-1-(2-methylpyrazol-3-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
CID 162368011
3-(2-methylpyrazol-3-yl)oxolan-3-ol
CID 63960932

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane (CID 138040549) is 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane is Cn1nccc1C12CC(CN1)C2.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is GGDNCXGNPXBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-8(2-3-11-12)9-4-7(5-9)6-10-9/h2-3,7,10H,4-6H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane?
1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 163.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 138040549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).