3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide

C21H24ClN5O4S — CID 53142789

IUPAC3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccco2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C21H24ClN5O4S/c1-2-26-15-19(20(28)23-14-18-7-4-12-31-18)21(24-26)32(29,30)27-10-8-25(9-11-27)17-6-3-5-16(22)13-17/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,28)
InChIKeyIFUYSNXTJYFJHO-UHFFFAOYSA-N
MW477.97 g/mol
LogP2.59
Rot. Bonds7

About 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide

3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 53142789) has the molecular formula C21H24ClN5O4S and a molecular weight of 477.97 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID53142789
Molecular FormulaC21H24ClN5O4S
Molecular Weight477.97 g/mol
Exact Mass477.12
IUPAC Name3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccco2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C21H24ClN5O4S/c1-2-26-15-19(20(28)23-14-18-7-4-12-31-18)21(24-26)32(29,30)27-10-8-25(9-11-27)17-6-3-5-16(22)13-17/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,28)
InChIKeyIFUYSNXTJYFJHO-UHFFFAOYSA-N
XLogP2.59
TPSA100.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142754
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
CID 53142803
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-carboxamide
CID 53142808
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 53336612
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-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
CID 53142711
[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
4-[(5-chloro-2-methoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400331
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide
CID 53142824
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 53336982
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide (CID 53142789) is 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2ccco2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is IFUYSNXTJYFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O4S/c1-2-26-15-19(20(28)23-14-18-7-4-12-31-18)21(24-26)32(29,30)27-10-8-25(9-11-27)17-6-3-5-16(22)13-17/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,23,28).
What are the key properties of 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 2.59, 7 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-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53142789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).