N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide

C10H14N4OS — CID 79503212

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCCC1
InChIInChI=1S/C10H14N4OS/c11-8(16)7-5-12-14-9(7)13-10(15)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,16)(H2,12,13,14,15)
InChIKeyOKSWORJXUXUEAO-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.17
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide (PubChem CID 79503212) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
PubChem CID79503212
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCCC1
InChIInChI=1S/C10H14N4OS/c11-8(16)7-5-12-14-9(7)13-10(15)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,16)(H2,12,13,14,15)
InChIKeyOKSWORJXUXUEAO-UHFFFAOYSA-N
XLogP1.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 79504062
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001600
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79497359
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide
CID 83155299
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 79503318
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methylbutanamide
CID 79504345
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea
CID 79500493
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 79500492
N-(1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 65023446
N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide (CID 79503212) is N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide is NC(=S)c1cn[nH]c1NC(=O)C1CCCC1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide?
The InChIKey is OKSWORJXUXUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-8(16)7-5-12-14-9(7)13-10(15)6-3-1-2-4-6/h5-6H,1-4H2,(H2,11,16)(H2,12,13,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 79503212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).