1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine

C23H28N4O3S — CID 42285551

IUPAC1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cn(C(C)C)nc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3S/c1-18(2)27-17-22(23(24-27)19-9-5-4-6-10-19)31(28,29)26-15-13-25(14-16-26)20-11-7-8-12-21(20)30-3/h4-12,17-18H,13-16H2,1-3H3
InChIKeyJJLWNZZWEHMKHM-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.65
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine

1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 42285551) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine
PubChem CID42285551
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cn(C(C)C)nc2-c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3S/c1-18(2)27-17-22(23(24-27)19-9-5-4-6-10-19)31(28,29)26-15-13-25(14-16-26)20-11-7-8-12-21(20)30-3/h4-12,17-18H,13-16H2,1-3H3
InChIKeyJJLWNZZWEHMKHM-UHFFFAOYSA-N
XLogP3.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 42285593
1-[4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 42346797
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(2-methoxyphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine
CID 1049011
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515858

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine (CID 42285551) is 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine is COc1ccccc1N1CCN(S(=O)(=O)c2cn(C(C)C)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is JJLWNZZWEHMKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-18(2)27-17-22(23(24-27)19-9-5-4-6-10-19)31(28,29)26-15-13-25(14-16-26)20-11-7-8-12-21(20)30-3/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine?
1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 440.57 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 42285551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).