[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine

C12H20N4O — CID 66392435

IUPAC[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CC3CCC(C2)O3)c1CN
InChIInChI=1S/C12H20N4O/c1-8-11(5-13)12(15(2)14-8)16-6-9-3-4-10(7-16)17-9/h9-10H,3-7,13H2,1-2H3
InChIKeyKMXXPRMCASBZLC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds2

About [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine

[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine (PubChem CID 66392435) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
PubChem CID66392435
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CC3CCC(C2)O3)c1CN
InChIInChI=1S/C12H20N4O/c1-8-11(5-13)12(15(2)14-8)16-6-9-3-4-10(7-16)17-9/h9-10H,3-7,13H2,1-2H3
InChIKeyKMXXPRMCASBZLC-UHFFFAOYSA-N
XLogP0.55
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine with MolForge

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Related Compounds

[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122234
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
CID 66371633
[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
CID 43122238
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 65283757
[5-(8-azaspiro[4.5]decan-8-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 55225901
[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889323
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 115562579
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine
CID 83189163

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine (CID 66392435) is [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine is Cc1nn(C)c(N2CC3CCC(C2)O3)c1CN.
What is the InChIKey of [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine?
The InChIKey is KMXXPRMCASBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-11(5-13)12(15(2)14-8)16-6-9-3-4-10(7-16)17-9/h9-10H,3-7,13H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine?
[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66392435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).