N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide

C25H31N5O4S — CID 24598452

IUPACN,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C25H31N5O4S/c1-4-28(5-2)35(32,33)29-16-14-27(15-17-29)25(31)23-19-30(21-11-7-6-8-12-21)26-24(23)20-10-9-13-22(18-20)34-3/h6-13,18-19H,4-5,14-17H2,1-3H3
InChIKeyXJSFAUDSOKQEOK-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.89
Rot. Bonds8

About N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide

N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide (PubChem CID 24598452) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
PubChem CID24598452
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C25H31N5O4S/c1-4-28(5-2)35(32,33)29-16-14-27(15-17-29)25(31)23-19-30(21-11-7-6-8-12-21)26-24(23)20-10-9-13-22(18-20)34-3/h6-13,18-19H,4-5,14-17H2,1-3H3
InChIKeyXJSFAUDSOKQEOK-UHFFFAOYSA-N
XLogP2.89
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598472
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
1,4-diazepan-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119417117
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38320860
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613068
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667286
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26245495

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide (CID 24598452) is N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1.
What is the InChIKey of N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide?
The InChIKey is XJSFAUDSOKQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-4-28(5-2)35(32,33)29-16-14-27(15-17-29)25(31)23-19-30(21-11-7-6-8-12-21)26-24(23)20-10-9-13-22(18-20)34-3/h6-13,18-19H,4-5,14-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide has a molecular weight of 497.62 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 24598452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).