2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide

C18H22N4O2S — CID 51998439

IUPAC2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1cc(C(=O)N2CCSCC2)nn1-c1ccccc1
InChIInChI=1S/C18H22N4O2S/c1-13(2)17(23)19-16-12-15(18(24)21-8-10-25-11-9-21)20-22(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23)
InChIKeyLZKSRFPLFQZPET-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide

2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide (PubChem CID 51998439) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
PubChem CID51998439
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1cc(C(=O)N2CCSCC2)nn1-c1ccccc1
InChIInChI=1S/C18H22N4O2S/c1-13(2)17(23)19-16-12-15(18(24)21-8-10-25-11-9-21)20-22(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23)
InChIKeyLZKSRFPLFQZPET-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998912
N-[(3-fluorophenyl)methyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998492
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998716
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998508
N-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998908
N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998470
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(thiomorpholine-4-carbonyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217754
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
N-[3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998715
2-[3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623496
2-(dimethylamino)-N-(1,3-diphenylpyrazol-5-yl)propanamide;hydron;chloride
CID 67108596
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide (CID 51998439) is 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide is CC(C)C(=O)Nc1cc(C(=O)N2CCSCC2)nn1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide?
The InChIKey is LZKSRFPLFQZPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(2)17(23)19-16-12-15(18(24)21-8-10-25-11-9-21)20-22(16)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,23).
What are the key properties of 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide?
2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide has a molecular weight of 358.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 51998439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).