1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea

C10H16N4S — CID 971526

IUPAC1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea
SMILESCn1ccc(NC(=S)NC2CCCC2)n1
InChIInChI=1S/C10H16N4S/c1-14-7-6-9(13-14)12-10(15)11-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,11,12,13,15)
InChIKeySLXYCZVQHLJDCQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.65
Rot. Bonds2

About 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea

1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea (PubChem CID 971526) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea
PubChem CID971526
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea
SMILESCn1ccc(NC(=S)NC2CCCC2)n1
InChIInChI=1S/C10H16N4S/c1-14-7-6-9(13-14)12-10(15)11-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,11,12,13,15)
InChIKeySLXYCZVQHLJDCQ-UHFFFAOYSA-N
XLogP1.65
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea (CID 971526) is 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea is Cn1ccc(NC(=S)NC2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea?
The InChIKey is SLXYCZVQHLJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-14-7-6-9(13-14)12-10(15)11-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,11,12,13,15).
What are the key properties of 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea?
1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea has a molecular weight of 224.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylpyrazol-3-yl)thiourea is sourced from PubChem (CID 971526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).