N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine

C14H21N3OS — CID 116803900

IUPACN-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
SMILESCC(C)n1cc(OCCNCCc2cccs2)cn1
InChIInChI=1S/C14H21N3OS/c1-12(2)17-11-13(10-16-17)18-8-7-15-6-5-14-4-3-9-19-14/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyVOBKTMYAYPXQCV-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine

N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine (PubChem CID 116803900) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
PubChem CID116803900
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
SMILESCC(C)n1cc(OCCNCCc2cccs2)cn1
InChIInChI=1S/C14H21N3OS/c1-12(2)17-11-13(10-16-17)18-8-7-15-6-5-14-4-3-9-19-14/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyVOBKTMYAYPXQCV-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116803927
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 107661497
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-[2-(4-bromo-2-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63214231

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine (CID 116803900) is N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine is CC(C)n1cc(OCCNCCc2cccs2)cn1.
What is the InChIKey of N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine?
The InChIKey is VOBKTMYAYPXQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-12(2)17-11-13(10-16-17)18-8-7-15-6-5-14-4-3-9-19-14/h3-4,9-12,15H,5-8H2,1-2H3.
What are the key properties of N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine?
N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 116803900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).