[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

C18H23ClN4O3S — CID 55789875

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]1
InChIInChI=1S/C18H23ClN4O3S/c1-13(2)11-15-12-17(21-20-15)18(24)22-7-9-23(10-8-22)27(25,26)16-5-3-14(19)4-6-16/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)
InChIKeyZXRZMEUSTJLQMW-UHFFFAOYSA-N
MW410.93 g/mol
LogP2.41
Rot. Bonds5

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone (PubChem CID 55789875) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
PubChem CID55789875
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]1
InChIInChI=1S/C18H23ClN4O3S/c1-13(2)11-15-12-17(21-20-15)18(24)22-7-9-23(10-8-22)27(25,26)16-5-3-14(19)4-6-16/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)
InChIKeyZXRZMEUSTJLQMW-UHFFFAOYSA-N
XLogP2.41
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone 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

(5-methyl-1H-pyrazol-3-yl)-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110328631
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 55741004
[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 24673001
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
4-[(4-methoxyphenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-1,4-diazepan-5-one
CID 42472943
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 60520699
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(1,2,4-triazol-4-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 138382055
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198
(2-bromo-5-methoxyphenyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 2710655

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone (CID 55789875) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is ZXRZMEUSTJLQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S/c1-13(2)11-15-12-17(21-20-15)18(24)22-7-9-23(10-8-22)27(25,26)16-5-3-14(19)4-6-16/h3-6,12-13H,7-11H2,1-2H3,(H,20,21).
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 410.93 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 55789875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).