1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine

C21H30N4O2S — CID 20947406

IUPAC1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)n[nH]1
InChIInChI=1S/C21H30N4O2S/c1-16-8-9-18(20-14-17(2)22-23-20)15-21(16)28(26,27)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,22,23)
InChIKeySOLADUVBQFKTLV-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.33
Rot. Bonds4

About 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine

1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine (PubChem CID 20947406) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine
PubChem CID20947406
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)n[nH]1
InChIInChI=1S/C21H30N4O2S/c1-16-8-9-18(20-14-17(2)22-23-20)15-21(16)28(26,27)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,22,23)
InChIKeySOLADUVBQFKTLV-UHFFFAOYSA-N
XLogP3.33
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-methyl-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490733
4-Methylbenzenesulfonic acid;5-methyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44385346
4-(2-methyl-5-(5-neopentyl-1H-pyrazol-3-yl)phenylsulfonyl)morpholine
CID 44591241
4-(5-(5-(cyclohexylmethyl)-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591350
4-(5-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylphenylsulfonyl)morpholine
CID 44591351
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
1-(3,4-dimethylphenyl)sulfonyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 9101469
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide
CID 155561853
3-({4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile
CID 71839616
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 24239178
N-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 72121237
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine (CID 20947406) is 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine is Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)n[nH]1.
What is the InChIKey of 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine?
The InChIKey is SOLADUVBQFKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-16-8-9-18(20-14-17(2)22-23-20)15-21(16)28(26,27)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,22,23).
What are the key properties of 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine?
1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine has a molecular weight of 402.56 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 20947406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).