2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide

C10H14N4O2S — CID 23799825

IUPAC2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)N1CCOCC1
InChIInChI=1S/C10H14N4O2S/c1-13-8(2-3-11-13)9(15)12-10(17)14-4-6-16-7-5-14/h2-3H,4-7H2,1H3,(H,12,15,17)
InChIKeyPSYONPHRQBIYSP-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.23
Rot. Bonds1

About 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide

2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide (PubChem CID 23799825) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide
PubChem CID23799825
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)N1CCOCC1
InChIInChI=1S/C10H14N4O2S/c1-13-8(2-3-11-13)9(15)12-10(17)14-4-6-16-7-5-14/h2-3H,4-7H2,1H3,(H,12,15,17)
InChIKeyPSYONPHRQBIYSP-UHFFFAOYSA-N
XLogP-0.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide (CID 23799825) is 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NC(=S)N1CCOCC1.
What is the InChIKey of 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide?
The InChIKey is PSYONPHRQBIYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13-8(2-3-11-13)9(15)12-10(17)14-4-6-16-7-5-14/h2-3H,4-7H2,1H3,(H,12,15,17).
What are the key properties of 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide?
2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide has a molecular weight of 254.31 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(morpholine-4-carbothioyl)pyrazole-3-carboxamide is sourced from PubChem (CID 23799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).