1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide

C16H24N6O3S — CID 122353575

IUPAC1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1C
InChIInChI=1S/C16H24N6O3S/c1-4-22-13(3)15(12(2)20-22)26(23,24)18-11-14-5-6-17-16(19-14)21-7-9-25-10-8-21/h5-6,18H,4,7-11H2,1-3H3
InChIKeyIVRQEHWZTHEEPJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.62
Rot. Bonds6

About 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 122353575) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID122353575
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1C
InChIInChI=1S/C16H24N6O3S/c1-4-22-13(3)15(12(2)20-22)26(23,24)18-11-14-5-6-17-16(19-14)21-7-9-25-10-8-21/h5-6,18H,4,7-11H2,1-3H3
InChIKeyIVRQEHWZTHEEPJ-UHFFFAOYSA-N
XLogP0.62
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122254936
5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353531
4-[4-[(dimethylsulfamoylamino)methyl]pyrimidin-2-yl]morpholine
CID 122353348
2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967427
2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353594
3-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353565
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 71688206
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353235
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide (CID 122353575) is 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCc2ccnc(N3CCOCC3)n2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is IVRQEHWZTHEEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-22-13(3)15(12(2)20-22)26(23,24)18-11-14-5-6-17-16(19-14)21-7-9-25-10-8-21/h5-6,18H,4,7-11H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122353575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).