1-(3-ethylsulfanylpropyl)pyrazol-4-ol

C8H14N2OS — CID 116799350

IUPAC1-(3-ethylsulfanylpropyl)pyrazol-4-ol
SMILESCCSCCCn1cc(O)cn1
InChIInChI=1S/C8H14N2OS/c1-2-12-5-3-4-10-7-8(11)6-9-10/h6-7,11H,2-5H2,1H3
InChIKeyBPYDFJQAUAHGJI-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.73
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)pyrazol-4-ol

1-(3-ethylsulfanylpropyl)pyrazol-4-ol (PubChem CID 116799350) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)pyrazol-4-ol
PubChem CID116799350
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(3-ethylsulfanylpropyl)pyrazol-4-ol
SMILESCCSCCCn1cc(O)cn1
InChIInChI=1S/C8H14N2OS/c1-2-12-5-3-4-10-7-8(11)6-9-10/h6-7,11H,2-5H2,1H3
InChIKeyBPYDFJQAUAHGJI-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)pyrazol-4-ol
CID 116799422
1-(4-methylpentyl)pyrazol-4-ol
CID 116799439
2-[1-(3-ethylsulfanylpropyl)pyrazol-4-yl]aniline
CID 113473561
1-(2-ethylsulfanylethyl)-4-iodopyrazole
CID 115646959
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-ol
CID 116799456
1-[1-(3-ethylsulfanylpropyl)triazol-4-yl]ethanamine
CID 114419560
1-(2-phenylsulfanylethyl)pyrazol-4-ol
CID 116799458
1-(aminomethyl)pyrazol-4-ol
CID 117125261
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
1-but-2-ynylpyrazol-4-ol
CID 122240485
1-(2-piperazin-1-ylethyl)pyrazol-4-ol
CID 82399492

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)pyrazol-4-ol?
The IUPAC name of 1-(3-ethylsulfanylpropyl)pyrazol-4-ol (CID 116799350) is 1-(3-ethylsulfanylpropyl)pyrazol-4-ol.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)pyrazol-4-ol?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)pyrazol-4-ol is CCSCCCn1cc(O)cn1.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)pyrazol-4-ol?
The InChIKey is BPYDFJQAUAHGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-12-5-3-4-10-7-8(11)6-9-10/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)pyrazol-4-ol?
1-(3-ethylsulfanylpropyl)pyrazol-4-ol has a molecular weight of 186.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)pyrazol-4-ol is sourced from PubChem (CID 116799350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).