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

C24H30N6O4S — CID 53200671

IUPAC3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C24H30N6O4S/c1-3-29-18-20(23(31)26-17-19-9-7-8-12-25-19)24(27-29)35(32,33)30-15-13-28(14-16-30)21-10-5-6-11-22(21)34-4-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,26,31)
InChIKeyIJMXPBILACGRKF-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.14
Rot. Bonds9

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

3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 53200671) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID53200671
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C24H30N6O4S/c1-3-29-18-20(23(31)26-17-19-9-7-8-12-25-19)24(27-29)35(32,33)30-15-13-28(14-16-30)21-10-5-6-11-22(21)34-4-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,26,31)
InChIKeyIJMXPBILACGRKF-UHFFFAOYSA-N
XLogP2.14
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-propylpyrazole-4-carboxamide
CID 53142746
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142754
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-4-carboxamide
CID 53142735
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 53142726
N-benzyl-3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 53336407
1-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-propylpyrazole-4-carbonyl]piperidin-4-one
CID 53336445
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-N,N-bis(2-methylpropyl)-1-propylpyrazole-4-carboxamide
CID 53336427
N-butyl-3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-N-ethyl-1-propylpyrazole-4-carboxamide
CID 53336426
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 53336982
N-[(2,4-difluorophenyl)methyl]-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carboxamide
CID 53336962
[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53336532
1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142656

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 53200671) is 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is IJMXPBILACGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-3-29-18-20(23(31)26-17-19-9-7-8-12-25-19)24(27-29)35(32,33)30-15-13-28(14-16-30)21-10-5-6-11-22(21)34-4-2/h5-12,18H,3-4,13-17H2,1-2H3,(H,26,31).
What are the key properties of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53200671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).