1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine

C15H29N3O — CID 116715887

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1ccn(C(C)CC)n1)C(CC)OC
InChIInChI=1S/C15H29N3O/c1-6-12(4)18-10-9-13(17-18)11-14(16-8-3)15(7-2)19-5/h9-10,12,14-16H,6-8,11H2,1-5H3
InChIKeyXOGMCUHUGZVYNJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.80
Rot. Bonds9

About 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine (PubChem CID 116715887) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
PubChem CID116715887
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
SMILESCCNC(Cc1ccn(C(C)CC)n1)C(CC)OC
InChIInChI=1S/C15H29N3O/c1-6-12(4)18-10-9-13(17-18)11-14(16-8-3)15(7-2)19-5/h9-10,12,14-16H,6-8,11H2,1-5H3
InChIKeyXOGMCUHUGZVYNJ-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
3-ethoxy-N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116716994
[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
CID 105271794
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 64785505
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722385
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine (CID 116715887) is 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine is CCNC(Cc1ccn(C(C)CC)n1)C(CC)OC.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine?
The InChIKey is XOGMCUHUGZVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-12(4)18-10-9-13(17-18)11-14(16-8-3)15(7-2)19-5/h9-10,12,14-16H,6-8,11H2,1-5H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116715887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).