1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea

C15H20N4OS — CID 19571887

IUPAC1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea
SMILESCCOc1ccccc1NC(=S)NCc1ccn(CC)n1
InChIInChI=1S/C15H20N4OS/c1-3-19-10-9-12(18-19)11-16-15(21)17-13-7-5-6-8-14(13)20-4-2/h5-10H,3-4,11H2,1-2H3,(H2,16,17,21)
InChIKeyWMRYDUHMGYSOHV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.79
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea

1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea (PubChem CID 19571887) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea
PubChem CID19571887
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea
SMILESCCOc1ccccc1NC(=S)NCc1ccn(CC)n1
InChIInChI=1S/C15H20N4OS/c1-3-19-10-9-12(18-19)11-16-15(21)17-13-7-5-6-8-14(13)20-4-2/h5-10H,3-4,11H2,1-2H3,(H2,16,17,21)
InChIKeyWMRYDUHMGYSOHV-UHFFFAOYSA-N
XLogP2.79
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.79
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-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
1-[2-(difluoromethoxy)phenyl]-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571852
1-(3,4-dichlorophenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea
CID 19571907
1-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-ethoxyphenyl)thiourea
CID 19401423
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-ethoxyphenyl)thiourea
CID 3838049
1-(2-ethoxyphenyl)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiourea
CID 100749072
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652810
3-(2-ethoxyphenyl)-1-methyl-1-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19456212
1-(2-ethoxyphenyl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiourea
CID 100761182
1-[2-(difluoromethoxy)phenyl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324966

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea (CID 19571887) is 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea is CCOc1ccccc1NC(=S)NCc1ccn(CC)n1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea?
The InChIKey is WMRYDUHMGYSOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-19-10-9-12(18-19)11-16-15(21)17-13-7-5-6-8-14(13)20-4-2/h5-10H,3-4,11H2,1-2H3,(H2,16,17,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea?
1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea has a molecular weight of 304.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(1-ethylpyrazol-3-yl)methyl]thiourea is sourced from PubChem (CID 19571887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).