1-propyl-3-(2-pyrazol-1-ylethyl)thiourea

C9H16N4S — CID 115590289

IUPAC1-propyl-3-(2-pyrazol-1-ylethyl)thiourea
SMILESCCCNC(=S)NCCn1cccn1
InChIInChI=1S/C9H16N4S/c1-2-4-10-9(14)11-6-8-13-7-3-5-12-13/h3,5,7H,2,4,6,8H2,1H3,(H2,10,11,14)
InChIKeyWRWMBFKSGLHLAG-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.76
Rot. Bonds5

About 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea

1-propyl-3-(2-pyrazol-1-ylethyl)thiourea (PubChem CID 115590289) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-propyl-3-(2-pyrazol-1-ylethyl)thiourea
PubChem CID115590289
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-propyl-3-(2-pyrazol-1-ylethyl)thiourea
SMILESCCCNC(=S)NCCn1cccn1
InChIInChI=1S/C9H16N4S/c1-2-4-10-9(14)11-6-8-13-7-3-5-12-13/h3,5,7H,2,4,6,8H2,1H3,(H2,10,11,14)
InChIKeyWRWMBFKSGLHLAG-UHFFFAOYSA-N
XLogP0.76
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.76
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-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
1-(3-ethoxypropyl)-3-(3-pyrazol-1-ylpropyl)thiourea
CID 19574620
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 110934489
1-tert-butyl-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 110967228
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea?
The IUPAC name of 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea (CID 115590289) is 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea.
What is the SMILES notation for 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea?
The canonical SMILES for 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea is CCCNC(=S)NCCn1cccn1.
What is the InChIKey of 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea?
The InChIKey is WRWMBFKSGLHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-4-10-9(14)11-6-8-13-7-3-5-12-13/h3,5,7H,2,4,6,8H2,1H3,(H2,10,11,14).
What are the key properties of 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea?
1-propyl-3-(2-pyrazol-1-ylethyl)thiourea has a molecular weight of 212.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-pyrazol-1-ylethyl)thiourea is sourced from PubChem (CID 115590289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).