3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide

C25H30N4O5S — CID 90656811

IUPAC3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(C(C)C)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C25H30N4O5S/c1-17(2)29-16-22(24(27-29)19-6-5-7-21(14-19)33-4)25(30)26-20-9-8-18(3)23(15-20)35(31,32)28-10-12-34-13-11-28/h5-9,14-17H,10-13H2,1-4H3,(H,26,30)
InChIKeyKSQOSOAFIWZPPK-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.72
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide

3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 90656811) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID90656811
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(C(C)C)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C25H30N4O5S/c1-17(2)29-16-22(24(27-29)19-6-5-7-21(14-19)33-4)25(30)26-20-9-8-18(3)23(15-20)35(31,32)28-10-12-34-13-11-28/h5-9,14-17H,10-13H2,1-4H3,(H,26,30)
InChIKeyKSQOSOAFIWZPPK-UHFFFAOYSA-N
XLogP3.72
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 90656811) is 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide is COc1cccc(-c2nn(C(C)C)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KSQOSOAFIWZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-17(2)29-16-22(24(27-29)19-6-5-7-21(14-19)33-4)25(30)26-20-9-8-18(3)23(15-20)35(31,32)28-10-12-34-13-11-28/h5-9,14-17H,10-13H2,1-4H3,(H,26,30).
What are the key properties of 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 90656811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).