1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea

C15H20N4S — CID 19325118

IUPAC1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
SMILESCCn1cc(CNC(=S)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C15H20N4S/c1-4-19-10-13(9-17-19)8-16-15(20)18-14-6-5-11(2)7-12(14)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,18,20)
InChIKeyGOCBLTCWUWUGRK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea

1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea (PubChem CID 19325118) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
PubChem CID19325118
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
SMILESCCn1cc(CNC(=S)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C15H20N4S/c1-4-19-10-13(9-17-19)8-16-15(20)18-14-6-5-11(2)7-12(14)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,18,20)
InChIKeyGOCBLTCWUWUGRK-UHFFFAOYSA-N
XLogP3.01
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-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-(2,4-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325125
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
1-[(1-ethylpyrazol-4-yl)methyl]-3-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19394989
1-[(1-ethylpyrazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342950
1-(3,4-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 17269510
1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea
CID 92766117
4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
CID 17283410
methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 103569294
1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19393291
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)thiourea
CID 799681
1-(2,4-dimethylphenyl)-3-(2-methylprop-2-enyl)thiourea
CID 15113012

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea (CID 19325118) is 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea is CCn1cc(CNC(=S)Nc2ccc(C)cc2C)cn1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea?
The InChIKey is GOCBLTCWUWUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-19-10-13(9-17-19)8-16-15(20)18-14-6-5-11(2)7-12(14)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea?
1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea has a molecular weight of 288.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea is sourced from PubChem (CID 19325118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).