3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide

C26H32N4O6S — CID 90656816

IUPAC3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCOCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H32N4O6S/c1-19-7-8-21(16-25(19)37(32,33)30-10-13-36-14-11-30)27-26(31)23-18-29(28-24(23)9-12-34-2)17-20-5-4-6-22(15-20)35-3/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,27,31)
InChIKeyHOZHNHILHIGHLO-UHFFFAOYSA-N
MW528.63 g/mol
LogP2.71
Rot. Bonds10

About 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide

3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 90656816) has the molecular formula C26H32N4O6S and a molecular weight of 528.63 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID90656816
Molecular FormulaC26H32N4O6S
Molecular Weight528.63 g/mol
Exact Mass528.20
IUPAC Name3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCOCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C26H32N4O6S/c1-19-7-8-21(16-25(19)37(32,33)30-10-13-36-14-11-30)27-26(31)23-18-29(28-24(23)9-12-34-2)17-20-5-4-6-22(15-20)35-3/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,27,31)
InChIKeyHOZHNHILHIGHLO-UHFFFAOYSA-N
XLogP2.71
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-propan-2-ylpyrazole-4-carboxamide
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1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(methylidene-morpholin-4-yl-oxo-λ6-sulfanyl)phenyl]-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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CID 24687007
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
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N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 71953377
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide (CID 90656816) is 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide is COCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is HOZHNHILHIGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O6S/c1-19-7-8-21(16-25(19)37(32,33)30-10-13-36-14-11-30)27-26(31)23-18-29(28-24(23)9-12-34-2)17-20-5-4-6-22(15-20)35-3/h4-8,15-16,18H,9-14,17H2,1-3H3,(H,27,31).
What are the key properties of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90656816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).