1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea

C11H20N4OS — CID 115590234

IUPAC1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
SMILESCCOCCCNC(=S)Nc1cnn(CC)c1
InChIInChI=1S/C11H20N4OS/c1-3-15-9-10(8-13-15)14-11(17)12-6-5-7-16-4-2/h8-9H,3-7H2,1-2H3,(H2,12,14,17)
InChIKeyRCENOOSYZVIPFU-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.62
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea

1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea (PubChem CID 115590234) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
PubChem CID115590234
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
SMILESCCOCCCNC(=S)Nc1cnn(CC)c1
InChIInChI=1S/C11H20N4OS/c1-3-15-9-10(8-13-15)14-11(17)12-6-5-7-16-4-2/h8-9H,3-7H2,1-2H3,(H2,12,14,17)
InChIKeyRCENOOSYZVIPFU-UHFFFAOYSA-N
XLogP1.62
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.62
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-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea
CID 19445962
1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19445813
1-(3-ethoxypropyl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344331
1-butyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 113226469
1-(3-ethoxypropyl)-3-(6-ethoxy-3-pyridinyl)thiourea
CID 115687471
1-ethyl-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445833
1-butyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]thiourea
CID 19445996
1-(3-ethoxypropyl)-3-pyrimidin-2-ylthiourea
CID 100559977
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
1-(4-bromo-3,5-dimethylphenyl)-3-(3-ethoxypropyl)thiourea
CID 103579626
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19445967
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea (CID 115590234) is 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea is CCOCCCNC(=S)Nc1cnn(CC)c1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea?
The InChIKey is RCENOOSYZVIPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-15-9-10(8-13-15)14-11(17)12-6-5-7-16-4-2/h8-9H,3-7H2,1-2H3,(H2,12,14,17).
What are the key properties of 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea?
1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea has a molecular weight of 256.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 115590234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).