3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine

C13H25N3O — CID 114277839

IUPAC3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
SMILESCOCCn1nccc1C(C)C(C)NC(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)15-12(4)11(3)13-6-7-14-16(13)8-9-17-5/h6-7,10-12,15H,8-9H2,1-5H3
InChIKeyFYPLNRHTLIWNDC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.02
Rot. Bonds7

About 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine

3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine (PubChem CID 114277839) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
PubChem CID114277839
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine
SMILESCOCCn1nccc1C(C)C(C)NC(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)15-12(4)11(3)13-6-7-14-16(13)8-9-17-5/h6-7,10-12,15H,8-9H2,1-5H3
InChIKeyFYPLNRHTLIWNDC-UHFFFAOYSA-N
XLogP2.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylbutyl]cyclopropanamine
CID 114277862
N-ethyl-2-methoxy-1-[2-(2-methoxyethyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 114277804
[(4-iodophenyl)-[2-(2-methoxyethyl)pyrazol-3-yl]methyl]hydrazine
CID 114277964
1-[2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 114277909
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
CID 114277900
[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
CID 114277789
[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
CID 114277911
[3-methoxy-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105206275
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 104567613
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole
CID 118157112
N-[[2-(2-methoxyethyl)pyrazol-3-yl]-(thiadiazol-4-yl)methyl]ethanamine
CID 114277902

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine?
The IUPAC name of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine (CID 114277839) is 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine is COCCn1nccc1C(C)C(C)NC(C)C.
What is the InChIKey of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine?
The InChIKey is FYPLNRHTLIWNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)15-12(4)11(3)13-6-7-14-16(13)8-9-17-5/h6-7,10-12,15H,8-9H2,1-5H3.
What are the key properties of 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine?
3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)pyrazol-3-yl]-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 114277839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).