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

C10H15N5O2S — CID 869157

IUPAC1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(=S)NN2CCOCC2)n1
InChIInChI=1S/C10H15N5O2S/c1-14-3-2-8(12-14)9(16)11-10(18)13-15-4-6-17-7-5-15/h2-3H,4-7H2,1H3,(H2,11,13,16,18)
InChIKeyQFABAPKJQRULLU-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.73
Rot. Bonds2

About 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide

1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide (PubChem CID 869157) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide
PubChem CID869157
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(=S)NN2CCOCC2)n1
InChIInChI=1S/C10H15N5O2S/c1-14-3-2-8(12-14)9(16)11-10(18)13-15-4-6-17-7-5-15/h2-3H,4-7H2,1H3,(H2,11,13,16,18)
InChIKeyQFABAPKJQRULLU-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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Related Compounds

ethyl 4-({[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate
CID 778916
4-methyl-2-[3-(morpholine-4-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049039
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
3-(Morpholinocarbonyl)-N~1~-propyl-1H-pyrazole-1-carboxamide
CID 5348238
(1-methyl-1H-pyrazol-3-yl)(morpholino)methanone
CID 42110979
4-iodo-1-methyl-N-(morpholin-4-ylcarbamothioyl)-1H-pyrazole-5-carboxamide
CID 1105446
1-methyl-N-[(4-methyl-1-piperazinyl)carbonothioyl]-1H-pyrazole-3-carboxamide
CID 2864393
1-[(1-Methylpyrazole-3-carbonyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4766346
ethyl 4-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}piperazine-1-carboxylate
CID 19576433
1-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide
CID 4768097
1-(3-Morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 18766896

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide (CID 869157) is 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide is Cn1ccc(C(=O)NC(=S)NN2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
The InChIKey is QFABAPKJQRULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-14-3-2-8(12-14)9(16)11-10(18)13-15-4-6-17-7-5-15/h2-3H,4-7H2,1H3,(H2,11,13,16,18).
What are the key properties of 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide?
1-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 1-methyl-N-(morpholin-4-ylcarbamothioyl)pyrazole-3-carboxamide is sourced from PubChem (CID 869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).