1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea

C12H22N4OS — CID 19574620

IUPAC1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea
SMILESCCOCCCNC(=S)NCCCn1cccn1
InChIInChI=1S/C12H22N4OS/c1-2-17-11-5-7-14-12(18)13-6-3-9-16-10-4-8-15-16/h4,8,10H,2-3,5-7,9,11H2,1H3,(H2,13,14,18)
InChIKeyQCWDSAOEPIIJGF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.16
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea

1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea (PubChem CID 19574620) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea
PubChem CID19574620
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea
SMILESCCOCCCNC(=S)NCCCn1cccn1
InChIInChI=1S/C12H22N4OS/c1-2-17-11-5-7-14-12(18)13-6-3-9-16-10-4-8-15-16/h4,8,10H,2-3,5-7,9,11H2,1H3,(H2,13,14,18)
InChIKeyQCWDSAOEPIIJGF-UHFFFAOYSA-N
XLogP1.16
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-3-(2-pyrrol-1-ylethyl)thiourea
CID 106390691
2-[[(3-ethoxypropylamino)-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365777
1-propyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 115590289
1-(4-ethoxybutyl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111905649
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea
CID 100559977
1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
CID 115590234
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
1-(3-butoxypropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111239286
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(3-ethoxypropyl)thiourea
CID 19333396
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea (CID 19574620) is 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea is CCOCCCNC(=S)NCCCn1cccn1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea?
The InChIKey is QCWDSAOEPIIJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-2-17-11-5-7-14-12(18)13-6-3-9-16-10-4-8-15-16/h4,8,10H,2-3,5-7,9,11H2,1H3,(H2,13,14,18).
What are the key properties of 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea?
1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea has a molecular weight of 270.40 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea is sourced from PubChem (CID 19574620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).