3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide

C20H28ClN5O4S — CID 53142803

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCCOC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H28ClN5O4S/c1-3-8-25-15-18(19(27)22-7-13-30-2)20(23-25)31(28,29)26-11-9-24(10-12-26)17-6-4-5-16(21)14-17/h4-6,14-15H,3,7-13H2,1-2H3,(H,22,27)
InChIKeyNQQZJEZQLQJKIG-UHFFFAOYSA-N
MW470.00 g/mol
LogP1.83
Rot. Bonds9

About 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide

3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide (PubChem CID 53142803) has the molecular formula C20H28ClN5O4S and a molecular weight of 470.00 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
PubChem CID53142803
Molecular FormulaC20H28ClN5O4S
Molecular Weight470.00 g/mol
Exact Mass469.16
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCCOC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C20H28ClN5O4S/c1-3-8-25-15-18(19(27)22-7-13-30-2)20(23-25)31(28,29)26-11-9-24(10-12-26)17-6-4-5-16(21)14-17/h4-6,14-15H,3,7-13H2,1-2H3,(H,22,27)
InChIKeyNQQZJEZQLQJKIG-UHFFFAOYSA-N
XLogP1.83
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-carboxamide
CID 53142808
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide
CID 53142824
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142789
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 53336632
[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53336711
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 53142843
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazole-4-carbonyl]piperidin-4-one
CID 53336715
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 53142817
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 53336612
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-propylpyrazole-4-carboxamide
CID 53142746
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275706
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide (CID 53142803) is 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCCOC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide?
The InChIKey is NQQZJEZQLQJKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O4S/c1-3-8-25-15-18(19(27)22-7-13-30-2)20(23-25)31(28,29)26-11-9-24(10-12-26)17-6-4-5-16(21)14-17/h4-6,14-15H,3,7-13H2,1-2H3,(H,22,27).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide?
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide has a molecular weight of 470.00 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 53142803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).