2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide

C10H15N5O2S — CID 23968682

IUPAC2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)NN1CCOCC1
InChIInChI=1S/C10H15N5O2S/c1-14-8(2-3-11-14)9(16)12-10(18)13-15-4-6-17-7-5-15/h2-3H,4-7H2,1H3,(H2,12,13,16,18)
InChIKeyUKUDVVRUFVJKLS-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.73
Rot. Bonds2

About 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide

2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide (PubChem CID 23968682) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide
PubChem CID23968682
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)NN1CCOCC1
InChIInChI=1S/C10H15N5O2S/c1-14-8(2-3-11-14)9(16)12-10(18)13-15-4-6-17-7-5-15/h2-3H,4-7H2,1H3,(H2,12,13,16,18)
InChIKeyUKUDVVRUFVJKLS-UHFFFAOYSA-N
XLogP-0.73
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide (CID 23968682) is 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NC(=S)NN1CCOCC1.
What is the InChIKey of 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
The InChIKey is UKUDVVRUFVJKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-14-8(2-3-11-14)9(16)12-10(18)13-15-4-6-17-7-5-15/h2-3H,4-7H2,1H3,(H2,12,13,16,18).
What are the key properties of 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide is sourced from PubChem (CID 23968682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).