3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

C16H31N3O — CID 116721524

IUPAC3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(Cc1ccn(C(C)C)n1)C(OCC)C(C)C
InChIInChI=1S/C16H31N3O/c1-7-17-15(16(12(3)4)20-8-2)11-14-9-10-19(18-14)13(5)6/h9-10,12-13,15-17H,7-8,11H2,1-6H3
InChIKeyNUCMGMGLBMFQNH-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.05
Rot. Bonds9

About 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 116721524) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
PubChem CID116721524
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(Cc1ccn(C(C)C)n1)C(OCC)C(C)C
InChIInChI=1S/C16H31N3O/c1-7-17-15(16(12(3)4)20-8-2)11-14-9-10-19(18-14)13(5)6/h9-10,12-13,15-17H,7-8,11H2,1-6H3
InChIKeyNUCMGMGLBMFQNH-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116716994
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (CID 116721524) is 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is CCNC(Cc1ccn(C(C)C)n1)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is NUCMGMGLBMFQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-17-15(16(12(3)4)20-8-2)11-14-9-10-19(18-14)13(5)6/h9-10,12-13,15-17H,7-8,11H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 116721524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).