N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

C20H22N4O4S — CID 48678676

IUPACN-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-4-29(26,27)23-16-8-6-15(7-9-16)21-20(25)17-11-12-24(22-17)18-13-14(2)5-10-19(18)28-3/h5-13,23H,4H2,1-3H3,(H,21,25)
InChIKeyTXSMIUUYLCLJEZ-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (PubChem CID 48678676) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
PubChem CID48678676
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)cc1
InChIInChI=1S/C20H22N4O4S/c1-4-29(26,27)23-16-8-6-15(7-9-16)21-20(25)17-11-12-24(22-17)18-13-14(2)5-10-19(18)28-3/h5-13,23H,4H2,1-3H3,(H,21,25)
InChIKeyTXSMIUUYLCLJEZ-UHFFFAOYSA-N
XLogP3.20
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48659408
1-(2-methoxy-5-methylphenyl)-N-(1-phenylpyrazol-4-yl)pyrazole-3-carboxamide
CID 71936851
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201
1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
CID 119041491
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
1-(2-methoxy-5-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 86848010
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carbohydrazide
CID 48673056

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (CID 48678676) is N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccn(-c3cc(C)ccc3OC)n2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is TXSMIUUYLCLJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-4-29(26,27)23-16-8-6-15(7-9-16)21-20(25)17-11-12-24(22-17)18-13-14(2)5-10-19(18)28-3/h5-13,23H,4H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 48678676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).