1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea

C14H18N4S — CID 19342847

IUPAC1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
SMILESCc1cccc(NC(=S)Nc2cn(C)nc2C)c1C
InChIInChI=1S/C14H18N4S/c1-9-6-5-7-12(10(9)2)15-14(19)16-13-8-18(4)17-11(13)3/h5-8H,1-4H3,(H2,15,16,19)
InChIKeyZSLTYBAVYKXVEW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.15
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea

1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea (PubChem CID 19342847) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
PubChem CID19342847
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
SMILESCc1cccc(NC(=S)Nc2cn(C)nc2C)c1C
InChIInChI=1S/C14H18N4S/c1-9-6-5-7-12(10(9)2)15-14(19)16-13-8-18(4)17-11(13)3/h5-8H,1-4H3,(H2,15,16,19)
InChIKeyZSLTYBAVYKXVEW-UHFFFAOYSA-N
XLogP3.15
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 102806211
1-(1,3-dimethylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4863091
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
CID 800382
1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
CID 4776356
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 19342860
1-(2,3-dimethylphenyl)-3-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19396989
1-(1,3-dimethylpyrazol-4-yl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19342858

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea (CID 19342847) is 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea is Cc1cccc(NC(=S)Nc2cn(C)nc2C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The InChIKey is ZSLTYBAVYKXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-6-5-7-12(10(9)2)15-14(19)16-13-8-18(4)17-11(13)3/h5-8H,1-4H3,(H2,15,16,19).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea?
1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea has a molecular weight of 274.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 19342847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).