1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

C23H28N4O2S — CID 19682701

IUPAC1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C23H28N4O2S/c1-3-26-18-22(19(2)24-26)30(28,29)27-16-14-25(15-17-27)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,23H,3,14-17H2,1-2H3
InChIKeyUDBIJJLVXWFZLP-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.31
Rot. Bonds6

About 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine

1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19682701) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19682701
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C23H28N4O2S/c1-3-26-18-22(19(2)24-26)30(28,29)27-16-14-25(15-17-27)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,23H,3,14-17H2,1-2H3
InChIKeyUDBIJJLVXWFZLP-UHFFFAOYSA-N
XLogP3.31
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17301236
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416
1-[1-(benzenesulfonyl)-2,5-dimethylpyrrol-3-yl]sulfonyl-4-benzhydrylpiperazine
CID 17247748
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022436
1-(3-chloro-2-methylphenyl)sulfonyl-4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine
CID 92772321
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
2-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17024192
1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
(3S)-3-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1-methylazepan-2-one
CID 95832113
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 19560260

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine (CID 19682701) is 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1.
What is the InChIKey of 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is UDBIJJLVXWFZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-3-26-18-22(19(2)24-26)30(28,29)27-16-14-25(15-17-27)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18,23H,3,14-17H2,1-2H3.
What are the key properties of 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine?
1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 424.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19682701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).