N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide

C10H14N4O2S — CID 79759731

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C10H14N4O2S/c1-5-6(2-3-16-5)10(15)13-9-7(8(11)17)4-12-14-9/h4-6H,2-3H2,1H3,(H2,11,17)(H2,12,13,14,15)
InChIKeyXSNXOYPIDWULOF-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.41
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide (PubChem CID 79759731) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide
PubChem CID79759731
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C10H14N4O2S/c1-5-6(2-3-16-5)10(15)13-9-7(8(11)17)4-12-14-9/h4-6H,2-3H2,1H3,(H2,11,17)(H2,12,13,14,15)
InChIKeyXSNXOYPIDWULOF-UHFFFAOYSA-N
XLogP0.41
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide (CID 79759731) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1[nH]ncc1C(N)=S.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is XSNXOYPIDWULOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-5-6(2-3-16-5)10(15)13-9-7(8(11)17)4-12-14-9/h4-6H,2-3H2,1H3,(H2,11,17)(H2,12,13,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).