1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

C8H14N4S — CID 19342939

IUPAC1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
SMILESCNC(=S)Nc1c(C)nn(C)c1C
InChIInChI=1S/C8H14N4S/c1-5-7(10-8(13)9-3)6(2)12(4)11-5/h1-4H3,(H2,9,10,13)
InChIKeyORWYLMXZKBPHBU-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.95
Rot. Bonds1

About 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea

1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea (PubChem CID 19342939) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
PubChem CID19342939
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
SMILESCNC(=S)Nc1c(C)nn(C)c1C
InChIInChI=1S/C8H14N4S/c1-5-7(10-8(13)9-3)6(2)12(4)11-5/h1-4H3,(H2,9,10,13)
InChIKeyORWYLMXZKBPHBU-UHFFFAOYSA-N
XLogP0.95
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)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-butyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342932
1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342962
1-[(1-ethylpyrazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 19342950
1-(2-morpholin-4-ium-4-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 8538603
1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 8538626
1-(2,5-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 17283631
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] pyrrolidine-1-carbodithioate
CID 7705397
(E)-N-(1,3,5-trimethylpyrazol-4-yl)but-2-enamide
CID 110470173
N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine
CID 129173858
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
1-methyl-3-(1-methylpyrazol-3-yl)thiourea
CID 19401616

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The IUPAC name of 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea (CID 19342939) is 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is CNC(=S)Nc1c(C)nn(C)c1C.
What is the InChIKey of 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
The InChIKey is ORWYLMXZKBPHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5-7(10-8(13)9-3)6(2)12(4)11-5/h1-4H3,(H2,9,10,13).
What are the key properties of 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea?
1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea has a molecular weight of 198.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 19342939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).