1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea

C18H18N4OS — CID 935066

IUPAC1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
SMILESCCOc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C18H18N4OS/c1-2-23-15-10-8-14(9-11-15)19-18(24)20-17-12-16(21-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H3,19,20,21,22,24)
InChIKeyRJOUAEBGYXEXLO-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea

1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea (PubChem CID 935066) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
PubChem CID935066
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
SMILESCCOc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C18H18N4OS/c1-2-23-15-10-8-14(9-11-15)19-18(24)20-17-12-16(21-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H3,19,20,21,22,24)
InChIKeyRJOUAEBGYXEXLO-UHFFFAOYSA-N
XLogP4.28
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)thiourea
CID 935266
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 6868524
N-(3-chloro-4-methoxyphenyl)-N'-(3-phenyl-1H-pyrazol-5-yl)thiourea
CID 2223899
3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide
CID 25199443
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1-(3-Tert-butyl-1-methylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811925
1-(5-phenyl-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 2822414
1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-ylamine
CID 4121554
1-(1,3-Diphenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811282
1-(4-Methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-amine
CID 4584616
1-(1-Methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2815272
4-[4-(3-morpholin-4-yl-1H-pyrazol-5-yl)phenoxy]aniline
CID 23656796

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea (CID 935066) is 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea is CCOc1ccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The InChIKey is RJOUAEBGYXEXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-23-15-10-8-14(9-11-15)19-18(24)20-17-12-16(21-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H3,19,20,21,22,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea has a molecular weight of 338.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea is sourced from PubChem (CID 935066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).