1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea

C9H16N4OS — CID 115590262

IUPAC1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
SMILESCCNC(=S)Nc1cnn(CCOC)c1
InChIInChI=1S/C9H16N4OS/c1-3-10-9(15)12-8-6-11-13(7-8)4-5-14-2/h6-7H,3-5H2,1-2H3,(H2,10,12,15)
InChIKeyKJPPKBQCBZGAAS-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.84
Rot. Bonds5

About 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea

1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea (PubChem CID 115590262) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
PubChem CID115590262
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
SMILESCCNC(=S)Nc1cnn(CCOC)c1
InChIInChI=1S/C9H16N4OS/c1-3-10-9(15)12-8-6-11-13(7-8)4-5-14-2/h6-7H,3-5H2,1-2H3,(H2,10,12,15)
InChIKeyKJPPKBQCBZGAAS-UHFFFAOYSA-N
XLogP0.84
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 113226469
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea
CID 19445962
1-ethyl-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445833
1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19445813
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea?
The IUPAC name of 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea (CID 115590262) is 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea.
What is the SMILES notation for 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea?
The canonical SMILES for 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea is CCNC(=S)Nc1cnn(CCOC)c1.
What is the InChIKey of 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea?
The InChIKey is KJPPKBQCBZGAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-10-9(15)12-8-6-11-13(7-8)4-5-14-2/h6-7H,3-5H2,1-2H3,(H2,10,12,15).
What are the key properties of 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea?
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea has a molecular weight of 228.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea is sourced from PubChem (CID 115590262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).