N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide

C23H28N4O4S — CID 58806813

IUPACN-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(CCNS(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C23H28N4O4S/c1-5-26(2)23(28)21-16-22(27(25-21)19-10-12-20(31-3)13-11-19)18-8-6-17(7-9-18)14-15-24-32(4,29)30/h6-13,16,24H,5,14-15H2,1-4H3
InChIKeyBCCZCBUWVWZFHR-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.73
Rot. Bonds9

About N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide

N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 58806813) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
PubChem CID58806813
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(CCNS(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C23H28N4O4S/c1-5-26(2)23(28)21-16-22(27(25-21)19-10-12-20(31-3)13-11-19)18-8-6-17(7-9-18)14-15-24-32(4,29)30/h6-13,16,24H,5,14-15H2,1-4H3
InChIKeyBCCZCBUWVWZFHR-UHFFFAOYSA-N
XLogP2.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
CID 90712631
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]acetamide
CID 58806583
5-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-N-ethyl-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 58806815
1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
tert-butyl N-[2-[4-[3-[methoxy(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl]carbamate
CID 58806700
5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 21090968
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 58806843
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide (CID 58806813) is N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide is CCN(C)C(=O)c1cc(-c2ccc(CCNS(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is BCCZCBUWVWZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-5-26(2)23(28)21-16-22(27(25-21)19-10-12-20(31-3)13-11-19)18-8-6-17(7-9-18)14-15-24-32(4,29)30/h6-13,16,24H,5,14-15H2,1-4H3.
What are the key properties of N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide?
N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 58806813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).