1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea

C17H16N4OS — CID 935371

IUPAC1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/C17H16N4OS/c1-22-14-9-5-8-13(10-14)18-17(23)19-16-11-15(20-21-16)12-6-3-2-4-7-12/h2-11H,1H3,(H3,18,19,20,21,23)
InChIKeyHUSNIQXJJLRWHH-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.89
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea (PubChem CID 935371) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
PubChem CID935371
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
SMILESCOc1cccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/C17H16N4OS/c1-22-14-9-5-8-13(10-14)18-17(23)19-16-11-15(20-21-16)12-6-3-2-4-7-12/h2-11H,1H3,(H3,18,19,20,21,23)
InChIKeyHUSNIQXJJLRWHH-UHFFFAOYSA-N
XLogP3.89
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.89
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-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
CID 17112503
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 5249645
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-(4-methylphenyl)-3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiourea
CID 2384954
1-(3-chloro-2-methylphenyl)-3-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]thiourea
CID 18524374
1-(3-methoxyphenyl)-3-[(E)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 22829855
1-(3-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488765
1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8619758
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)thiourea
CID 99802982
1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532
1-(3-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 976911

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea (CID 935371) is 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea is COc1cccc(NC(=S)Nc2cc(-c3ccccc3)[nH]n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
The InChIKey is HUSNIQXJJLRWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-22-14-9-5-8-13(10-14)18-17(23)19-16-11-15(20-21-16)12-6-3-2-4-7-12/h2-11H,1H3,(H3,18,19,20,21,23).
What are the key properties of 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea?
1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea has a molecular weight of 324.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea is sourced from PubChem (CID 935371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).