N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

C29H31N5O4S — CID 135375793

IUPACN-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3OCc3ccccc3)CC2)c1
InChIInChI=1S/C29H31N5O4S/c1-39(36,37)31-27-19-30-34(21-27)29(35)33-16-14-32(15-17-33)20-26-13-12-25(24-10-6-3-7-11-24)18-28(26)38-22-23-8-4-2-5-9-23/h2-13,18-19,21,31H,14-17,20,22H2,1H3
InChIKeyPPZQOPVQCGDIQQ-UHFFFAOYSA-N
MW545.67 g/mol
LogP4.29
Rot. Bonds8

About N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375793) has the molecular formula C29H31N5O4S and a molecular weight of 545.67 g/mol. Its IUPAC name is N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375793
Molecular FormulaC29H31N5O4S
Molecular Weight545.67 g/mol
Exact Mass545.21
IUPAC NameN-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3OCc3ccccc3)CC2)c1
InChIInChI=1S/C29H31N5O4S/c1-39(36,37)31-27-19-30-34(21-27)29(35)33-16-14-32(15-17-33)20-26-13-12-25(24-10-6-3-7-11-24)18-28(26)38-22-23-8-4-2-5-9-23/h2-13,18-19,21,31H,14-17,20,22H2,1H3
InChIKeyPPZQOPVQCGDIQQ-UHFFFAOYSA-N
XLogP4.29
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.67
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 145316030
[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-(6-methyl-3-pyridinyl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 161237948
[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]-[4-[[4-pyrimidin-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 158717245
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 70726913
N-[1-[7-[(3,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375535
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
tert-butyl 4-[[3-(3-methoxy-4-phenylmethoxyphenyl)phenyl]methyl]piperazine-1-carboxylate
CID 171675504
(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
N-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
CID 148867204
4-phenyl-2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306513
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375793) is N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3OCc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is PPZQOPVQCGDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4S/c1-39(36,37)31-27-19-30-34(21-27)29(35)33-16-14-32(15-17-33)20-26-13-12-25(24-10-6-3-7-11-24)18-28(26)38-22-23-8-4-2-5-9-23/h2-13,18-19,21,31H,14-17,20,22H2,1H3.
What are the key properties of N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 545.67 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).