N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide

C10H14N4O2S — CID 79500150

IUPACN-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)C1CCCO1
InChIInChI=1S/C10H14N4O2S/c1-14-9(6(5-12-14)8(11)17)13-10(15)7-3-2-4-16-7/h5,7H,2-4H2,1H3,(H2,11,17)(H,13,15)
InChIKeyCHUWROHWHSALPJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.17
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide

N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide (PubChem CID 79500150) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide
PubChem CID79500150
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide
SMILESCn1ncc(C(N)=S)c1NC(=O)C1CCCO1
InChIInChI=1S/C10H14N4O2S/c1-14-9(6(5-12-14)8(11)17)13-10(15)7-3-2-4-16-7/h5,7H,2-4H2,1H3,(H2,11,17)(H,13,15)
InChIKeyCHUWROHWHSALPJ-UHFFFAOYSA-N
XLogP0.17
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 39965405
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208463
(2R)-N-(1-butyl-4-methyl-1H-pyrazol-5-yl)tetrahydrofuran-2-carboxamide
CID 50983473
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)oxane-2-carboxamide
CID 28391732
(2R)-N-(1-ethyl-4-methylpyrazol-5-yl)oxane-2-carboxamide
CID 28391734
N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 42892459
N-(1-methyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 45352996
N-(1-ethyl-4-methyl-1H-pyrazol-5-yl)tetrahydro-2H-pyran-2-carboxamide
CID 45929277
N-(2-propan-2-ylpyrazol-3-yl)oxolane-2-carboxamide
CID 60380754
N-(1-methyl-4-sulfamoylpyrazol-3-yl)oxolane-2-carboxamide
CID 61129236
N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxane-2-carboxamide
CID 79499004
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 79499339

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide (CID 79500150) is N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide is Cn1ncc(C(N)=S)c1NC(=O)C1CCCO1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide?
The InChIKey is CHUWROHWHSALPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-14-9(6(5-12-14)8(11)17)13-10(15)7-3-2-4-16-7/h5,7H,2-4H2,1H3,(H2,11,17)(H,13,15).
What are the key properties of N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide?
N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpyrazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 79500150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).