1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C16H28N4O — CID 114660208

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCCn1ncc(OC)c1C(NC)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H28N4O/c1-5-20-16(14(21-4)10-18-20)15(17-2)11-8-12-6-7-13(9-11)19(12)3/h10-13,15,17H,5-9H2,1-4H3
InChIKeyFKRIZZWMMCOWSW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.04
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 114660208) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID114660208
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCCn1ncc(OC)c1C(NC)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H28N4O/c1-5-20-16(14(21-4)10-18-20)15(17-2)11-8-12-6-7-13(9-11)19(12)3/h10-13,15,17H,5-9H2,1-4H3
InChIKeyFKRIZZWMMCOWSW-UHFFFAOYSA-N
XLogP2.04
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine with MolForge

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-(4,4-dimethylcyclohexyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114655317
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
1-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659431
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349
[(3-ethylcyclopentyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105233464
N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114655232
2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114654096
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444969
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105048056
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 114660208) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CCn1ncc(OC)c1C(NC)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is FKRIZZWMMCOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-20-16(14(21-4)10-18-20)15(17-2)11-8-12-6-7-13(9-11)19(12)3/h10-13,15,17H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 292.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 114660208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).