N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C16H27N3O — CID 64771397

IUPACN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2
InChIInChI=1S/C16H27N3O/c1-4-17-15(14-10-13-5-6-16(14)20-13)9-12-7-8-19(18-12)11(2)3/h7-8,11,13-17H,4-6,9-10H2,1-3H3
InChIKeyMABCFGVRFFKFLT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.55
Rot. Bonds6

About N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 64771397) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID64771397
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2
InChIInChI=1S/C16H27N3O/c1-4-17-15(14-10-13-5-6-16(14)20-13)9-12-7-8-19(18-12)11(2)3/h7-8,11,13-17H,4-6,9-10H2,1-3H3
InChIKeyMABCFGVRFFKFLT-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine with MolForge

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Related Compounds

[1-(1-Cyclohexylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025341
[3-(2-Methylpyrazol-3-yl)-1-(oxolan-3-yl)propyl]hydrazine
CID 103026192
[1-(2-Methyloxolan-3-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026202
[3-(2-Methylpyrazol-3-yl)-1-(oxan-3-yl)propyl]hydrazine
CID 103026246
[4-(2-Methylpyrazol-3-yl)-1-(oxolan-3-yl)butan-2-yl]hydrazine
CID 103027042
[1-Cyclohexyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103027149
1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103027316
1-(1-Butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine
CID 103027317
N-ethyl-4-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 103027331
N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 103027345
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 103028808
4-Methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 103028809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 64771397) is N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2.
What is the InChIKey of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is MABCFGVRFFKFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-17-15(14-10-13-5-6-16(14)20-13)9-12-7-8-19(18-12)11(2)3/h7-8,11,13-17H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).