1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea

C8H13N5OS — CID 79500493

IUPAC1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C8H13N5OS/c1-2-3-10-8(14)12-7-5(6(9)15)4-11-13-7/h4H,2-3H2,1H3,(H2,9,15)(H3,10,11,12,13,14)
InChIKeyHJEDBIZHTPIFPI-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.58
Rot. Bonds4

About 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea

1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea (PubChem CID 79500493) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea.

Molecular Properties

Compound Name1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea
PubChem CID79500493
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C8H13N5OS/c1-2-3-10-8(14)12-7-5(6(9)15)4-11-13-7/h4H,2-3H2,1H3,(H2,9,15)(H3,10,11,12,13,14)
InChIKeyHJEDBIZHTPIFPI-UHFFFAOYSA-N
XLogP0.58
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.58
H-Bond Donors ≤ 54
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)-2-methylbutanamide
CID 79504345
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 79500492
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 79503984
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide
CID 79503795
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001600
3-bromo-N-(4-carbamothioyl-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851593
N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 79504062
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-cyclopropylpropanamide
CID 83155299
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
1-butyl-3-(4-cyano-1H-pyrazol-5-yl)urea
CID 79503092

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea?
The IUPAC name of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea (CID 79500493) is 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea.
What is the SMILES notation for 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea?
The canonical SMILES for 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea is CCCNC(=O)Nc1[nH]ncc1C(N)=S.
What is the InChIKey of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea?
The InChIKey is HJEDBIZHTPIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-2-3-10-8(14)12-7-5(6(9)15)4-11-13-7/h4H,2-3H2,1H3,(H2,9,15)(H3,10,11,12,13,14).
What are the key properties of 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea?
1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea has a molecular weight of 227.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamothioyl-1H-pyrazol-5-yl)-3-propylurea is sourced from PubChem (CID 79500493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).