1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea

C15H20N4O2S — CID 17283635

IUPAC1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea
SMILESCOc1cc(NC(=S)NCc2cnn(C)c2C)cc(OC)c1
InChIInChI=1S/C15H20N4O2S/c1-10-11(9-17-19(10)2)8-16-15(22)18-12-5-13(20-3)7-14(6-12)21-4/h5-7,9H,8H2,1-4H3,(H2,16,18,22)
InChIKeyLCNVORNAKCHKSV-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.23
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea

1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea (PubChem CID 17283635) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea
PubChem CID17283635
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea
SMILESCOc1cc(NC(=S)NCc2cnn(C)c2C)cc(OC)c1
InChIInChI=1S/C15H20N4O2S/c1-10-11(9-17-19(10)2)8-16-15(22)18-12-5-13(20-3)7-14(6-12)21-4/h5-7,9H,8H2,1-4H3,(H2,16,18,22)
InChIKeyLCNVORNAKCHKSV-UHFFFAOYSA-N
XLogP2.23
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-Dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 800739
1-(3,4,5-Trimethoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028482
1-(3-Methoxyphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 35285591
[(3,4-Dimethoxyphenyl)amino]{[(1-ethyl-3-methylpyrazol-4-yl)methyl]methylamino}methane-1-thione
CID 970512
[(2,4-Dimethoxyphenyl)amino]{methyl[(1,3,5-trimethylpyrazol-4-yl)methyl]amino} methane-1-thione
CID 978128
1-(3,5-dimethoxyphenyl)-3-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]thiourea
CID 2957668
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N'-[(1Z)-1-[(2E)-5-(1-methylpyrazol-4-yl)-2-propylidene-3-pyridinylidene]propan-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 132174905
N'-(2,6-difluoro-3,5-dimethoxyphenyl)-N-methyl-N'-[(2E,4E)-7-methyl-5-(methylideneamino)-6-[1-(1-methylpyrazol-4-yl)ethylideneamino]octa-2,4,6-trien-2-yl]ethane-1,2-diamine
CID 135160959
6-[(Z)-1-amino-1-(methylideneamino)prop-1-en-2-yl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]-4H-pyrimidin-2-one
CID 146199532
1-[2-(Difluoromethoxy)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea
CID 19324741
1-[2-(Difluoromethoxy)phenyl]-3-[(1,3-dimethylpyrazol-4-yl)methyl]thiourea
CID 19324909
1-[2-(Difluoromethoxy)phenyl]-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]thiourea
CID 19325084

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea (CID 17283635) is 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea is COc1cc(NC(=S)NCc2cnn(C)c2C)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea?
The InChIKey is LCNVORNAKCHKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-11(9-17-19(10)2)8-16-15(22)18-12-5-13(20-3)7-14(6-12)21-4/h5-7,9H,8H2,1-4H3,(H2,16,18,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea?
1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea has a molecular weight of 320.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]thiourea is sourced from PubChem (CID 17283635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).