1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea

C14H18N4OS — CID 4776356

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H18N4OS/c1-4-19-12-7-5-11(6-8-12)15-14(20)16-13-9-18(3)17-10(13)2/h5-9H,4H2,1-3H3,(H2,15,16,20)
InChIKeyCOEPVEFPLJRODC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.94
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea

1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea (PubChem CID 4776356) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
PubChem CID4776356
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H18N4OS/c1-4-19-12-7-5-11(6-8-12)15-14(20)16-13-9-18(3)17-10(13)2/h5-9H,4H2,1-3H3,(H2,15,16,20)
InChIKeyCOEPVEFPLJRODC-UHFFFAOYSA-N
XLogP2.94
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.94
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

4-[(4-ethoxyphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide
CID 17283559
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
CID 87125510
CID 87125510
barium(2+);1,3-bis(4-ethoxyphenyl)thiourea;ethanol;hydride
CID 173291202
1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 102806211
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
1-(4-cyanophenyl)-3-(4-ethoxyphenyl)thiourea
CID 23904984
1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 19342847
1,3-bis(4-ethoxyphenyl)thiourea;dibutylalumane
CID 172999227

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea (CID 4776356) is 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)Nc2cn(C)nc2C)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea?
The InChIKey is COEPVEFPLJRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-19-12-7-5-11(6-8-12)15-14(20)16-13-9-18(3)17-10(13)2/h5-9H,4H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea?
1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea has a molecular weight of 290.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 4776356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).