4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine

C19H26ClN3O2S — CID 86704290

IUPAC4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClN3O2S/c1-3-17-19(18(4-2)22-21-17)26(24,25)23-11-9-15(10-12-23)13-14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,21,22)
InChIKeyKAQPRWNUOMBKRD-UHFFFAOYSA-N
MW395.96 g/mol
LogP3.83
Rot. Bonds6

About 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine

4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine (PubChem CID 86704290) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
PubChem CID86704290
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC Name4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
SMILESCCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H26ClN3O2S/c1-3-17-19(18(4-2)22-21-17)26(24,25)23-11-9-15(10-12-23)13-14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,21,22)
InChIKeyKAQPRWNUOMBKRD-UHFFFAOYSA-N
XLogP3.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46236732
4-(4-Chloro-2-fluorobenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-fluoropiperidine
CID 72550891
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 6624522
1-benzyl-4-[5-(4-chlorophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine
CID 10595908
1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-piperidine
CID 10618875
4-[5-(4-Chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-1-phenethyl-piperidine
CID 10619737
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-methyl-piperidine
CID 10826290
12-(4-Chlorophenyl)sulfonyl-3-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
CID 16045312
12-(4-Chlorophenyl)sulfonyl-3-(trifluoromethyl)-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 16045314
12-(4-Chlorophenyl)sulfonyl-3-(difluoromethyl)-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 16045316
5-(4-chloro-benzenesulfonyl)-6-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 16730389
6-Benzyl-5-(4-chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730390

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine (CID 86704290) is 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine is CCc1n[nH]c(CC)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
The InChIKey is KAQPRWNUOMBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-3-17-19(18(4-2)22-21-17)26(24,25)23-11-9-15(10-12-23)13-14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,21,22).
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine?
4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine has a molecular weight of 395.96 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-[(3,5-diethyl-1H-pyrazol-4-yl)sulfonyl]piperidine is sourced from PubChem (CID 86704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).