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

C22H23ClFN5O3S — CID 53142711

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)cc2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C22H23ClFN5O3S/c1-2-28-15-20(21(30)25-18-7-5-17(24)6-8-18)22(26-28)33(31,32)29-13-11-27(12-14-29)19-9-3-16(23)4-10-19/h3-10,15H,2,11-14H2,1H3,(H,25,30)
InChIKeyCSODVRYCKVYZRA-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.46
Rot. Bonds6

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

3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 53142711) has the molecular formula C22H23ClFN5O3S and a molecular weight of 491.98 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID53142711
Molecular FormulaC22H23ClFN5O3S
Molecular Weight491.98 g/mol
Exact Mass491.12
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)cc2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C22H23ClFN5O3S/c1-2-28-15-20(21(30)25-18-7-5-17(24)6-8-18)22(26-28)33(31,32)29-13-11-27(12-14-29)19-9-3-16(23)4-10-19/h3-10,15H,2,11-14H2,1H3,(H,25,30)
InChIKeyCSODVRYCKVYZRA-UHFFFAOYSA-N
XLogP3.46
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)-1-propylpyrazole-4-carboxamide
CID 53142824
3-(azepan-1-ylsulfonyl)-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 53143029
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
CID 53142973
[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-(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-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142789
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 53142843
N-[(2,4-difluorophenyl)methyl]-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carboxamide
CID 53336962
3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 53143001
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
CID 53142803

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide (CID 53142711) is 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(F)cc2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is CSODVRYCKVYZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3S/c1-2-28-15-20(21(30)25-18-7-5-17(24)6-8-18)22(26-28)33(31,32)29-13-11-27(12-14-29)19-9-3-16(23)4-10-19/h3-10,15H,2,11-14H2,1H3,(H,25,30).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 491.98 g/mol, XLogP of 3.46, 6 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-1-ethyl-N-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53142711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).