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

C21H30ClN5O3S — CID 53142824

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(C)C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H30ClN5O3S/c1-4-9-26-15-19(20(28)23-14-16(2)3)21(24-26)31(29,30)27-12-10-25(11-13-27)18-7-5-17(22)6-8-18/h5-8,15-16H,4,9-14H2,1-3H3,(H,23,28)
InChIKeyAGCNLIXRUNGBNF-UHFFFAOYSA-N
MW468.02 g/mol
LogP2.84
Rot. Bonds8

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

3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide (PubChem CID 53142824) has the molecular formula C21H30ClN5O3S and a molecular weight of 468.02 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide
PubChem CID53142824
Molecular FormulaC21H30ClN5O3S
Molecular Weight468.02 g/mol
Exact Mass467.18
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC(C)C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H30ClN5O3S/c1-4-9-26-15-19(20(28)23-14-16(2)3)21(24-26)31(29,30)27-12-10-25(11-13-27)18-7-5-17(22)6-8-18/h5-8,15-16H,4,9-14H2,1-3H3,(H,23,28)
InChIKeyAGCNLIXRUNGBNF-UHFFFAOYSA-N
XLogP2.84
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.02
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53336711
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazole-4-carbonyl]piperidin-4-one
CID 53336715
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
CID 53142803
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N,N-diethyl-1-methylpyrazole-4-carboxamide
CID 53336650
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 53142817
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
CID 53142711
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-carboxamide
CID 53142808
N-butyl-3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide
CID 53336652
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 53142843
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142821
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142789
N-[(2S)-butan-2-yl]-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
CID 95095061

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide (CID 53142824) is 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCC(C)C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide?
The InChIKey is AGCNLIXRUNGBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O3S/c1-4-9-26-15-19(20(28)23-14-16(2)3)21(24-26)31(29,30)27-12-10-25(11-13-27)18-7-5-17(22)6-8-18/h5-8,15-16H,4,9-14H2,1-3H3,(H,23,28).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide has a molecular weight of 468.02 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 53142824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).