N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

C23H26N4O4S — CID 50751739

IUPACN-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)n[nH]2)cc1
InChIInChI=1S/C23H26N4O4S/c1-3-16-6-9-18(10-7-16)24-23(28)20-15-19(25-26-20)17-8-11-21(31-2)22(14-17)32(29,30)27-12-4-5-13-27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyJJDUGNHPRNUBCV-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.68
Rot. Bonds7

About N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide

N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 50751739) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID50751739
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)n[nH]2)cc1
InChIInChI=1S/C23H26N4O4S/c1-3-16-6-9-18(10-7-16)24-23(28)20-15-19(25-26-20)17-8-11-21(31-2)22(14-17)32(29,30)27-12-4-5-13-27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyJJDUGNHPRNUBCV-UHFFFAOYSA-N
XLogP3.68
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
N-[(4-chlorophenyl)methyl]-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751774
N-(furan-2-ylmethyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 46270303
[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 50751693
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104720
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39280812
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50751822
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide (CID 50751739) is N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is CCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JJDUGNHPRNUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-3-16-6-9-18(10-7-16)24-23(28)20-15-19(25-26-20)17-8-11-21(31-2)22(14-17)32(29,30)27-12-4-5-13-27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).