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

C24H30N6O3S — CID 53336982

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cccnc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C24H30N6O3S/c1-4-29-17-21(23(31)26-16-20-8-6-10-25-15-20)24(27-29)34(32,33)30-13-11-28(12-14-30)22-9-5-7-18(2)19(22)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,31)
InChIKeyHDOYBDOWDCJHAJ-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.36
Rot. Bonds7

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

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 53336982) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID53336982
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cccnc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C24H30N6O3S/c1-4-29-17-21(23(31)26-16-20-8-6-10-25-15-20)24(27-29)34(32,33)30-13-11-28(12-14-30)22-9-5-7-18(2)19(22)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,31)
InChIKeyHDOYBDOWDCJHAJ-UHFFFAOYSA-N
XLogP2.36
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-[(1R)-1-phenylethyl]pyrazole-4-carboxamide
CID 95186237
3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 53200671
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 53142843
ethyl 4-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53336816
N-(3-chloro-4-methoxyphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazole-4-carboxamide
CID 53336837
5-[(2,3-dimethylphenyl)carbamoylamino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1065226
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53336532
N-butyl-3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-methylpyrazole-4-carboxamide
CID 53336506
N-benzyl-3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 53336407
1-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66614096

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 53336982) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cccnc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HDOYBDOWDCJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-4-29-17-21(23(31)26-16-20-8-6-10-25-15-20)24(27-29)34(32,33)30-13-11-28(12-14-30)22-9-5-7-18(2)19(22)3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,31).
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53336982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).