1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea

C11H20N4S — CID 19469249

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NC(C)c1cn(C)nc1C
InChIInChI=1S/C11H20N4S/c1-5-6-12-11(16)13-8(2)10-7-15(4)14-9(10)3/h7-8H,5-6H2,1-4H3,(H2,12,13,16)
InChIKeyANMWTSHFYDKTAJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.66
Rot. Bonds4

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea (PubChem CID 19469249) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
PubChem CID19469249
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NC(C)c1cn(C)nc1C
InChIInChI=1S/C11H20N4S/c1-5-6-12-11(16)13-8(2)10-7-15(4)14-9(10)3/h7-8H,5-6H2,1-4H3,(H2,12,13,16)
InChIKeyANMWTSHFYDKTAJ-UHFFFAOYSA-N
XLogP1.66
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.66
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-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 51389883
ethyl 4-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate
CID 2955199
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 65191852
1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea
CID 19469263
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
1-[1-(2-chlorophenyl)ethyl]-3-propylthiourea
CID 115570565
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
CID 65192271
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19469256

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea (CID 19469249) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea is CCCNC(=S)NC(C)c1cn(C)nc1C.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea?
The InChIKey is ANMWTSHFYDKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-5-6-12-11(16)13-8(2)10-7-15(4)14-9(10)3/h7-8H,5-6H2,1-4H3,(H2,12,13,16).
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea has a molecular weight of 240.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea is sourced from PubChem (CID 19469249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).