1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine

C12H23N3OS — CID 114653547

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H23N3OS/c1-5-6-17-8-10(13)12-11(16-4)7-14-15(12)9(2)3/h7,9-10H,5-6,8,13H2,1-4H3
InChIKeyTVZFGJIOPMCEHB-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.62
Rot. Bonds7

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine (PubChem CID 114653547) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
PubChem CID114653547
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
SMILESCCCSCC(N)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H23N3OS/c1-5-6-17-8-10(13)12-11(16-4)7-14-15(12)9(2)3/h7,9-10H,5-6,8,13H2,1-4H3
InChIKeyTVZFGJIOPMCEHB-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.62
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-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653589
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114656012
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
4-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-amine
CID 105186873
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186869
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine (CID 114653547) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine is CCCSCC(N)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine?
The InChIKey is TVZFGJIOPMCEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-6-17-8-10(13)12-11(16-4)7-14-15(12)9(2)3/h7,9-10H,5-6,8,13H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine has a molecular weight of 257.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine is sourced from PubChem (CID 114653547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).