1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

C19H20N4S — CID 17284941

IUPAC1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
SMILESCc1cc(C)cc(NC(=S)Nc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C19H20N4S/c1-14-9-15(2)11-18(10-14)22-19(24)21-17-6-3-5-16(12-17)13-23-8-4-7-20-23/h3-12H,13H2,1-2H3,(H2,21,22,24)
InChIKeyHEEFBSBZVFHUAF-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.36
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea (PubChem CID 17284941) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
PubChem CID17284941
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
SMILESCc1cc(C)cc(NC(=S)Nc2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C19H20N4S/c1-14-9-15(2)11-18(10-14)22-19(24)21-17-6-3-5-16(12-17)13-23-8-4-7-20-23/h3-12H,13H2,1-2H3,(H2,21,22,24)
InChIKeyHEEFBSBZVFHUAF-UHFFFAOYSA-N
XLogP4.36
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
CID 17375195
1-[(4-fluorophenyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
CID 970237
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
2-(4-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46424038
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
4-[(3,5-dimethylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19505478
(E)-3-(2-methoxy-5-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 46424056
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea (CID 17284941) is 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea is Cc1cc(C)cc(NC(=S)Nc2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea?
The InChIKey is HEEFBSBZVFHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-14-9-15(2)11-18(10-14)22-19(24)21-17-6-3-5-16(12-17)13-23-8-4-7-20-23/h3-12H,13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea?
1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea has a molecular weight of 336.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea is sourced from PubChem (CID 17284941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).