1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide

C15H27N5O3S — CID 71689966

IUPAC1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C15H27N5O3S/c1-4-11-24(22,23)20-9-7-19(8-10-20)6-5-16-15(21)14-12-13(2)18(3)17-14/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyVWKODKLLQJDSGV-UHFFFAOYSA-N
MW357.48 g/mol
LogP-0.18
Rot. Bonds7

About 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 71689966) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
PubChem CID71689966
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC Name1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C15H27N5O3S/c1-4-11-24(22,23)20-9-7-19(8-10-20)6-5-16-15(21)14-12-13(2)18(3)17-14/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyVWKODKLLQJDSGV-UHFFFAOYSA-N
XLogP-0.18
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 136663358
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
N-[2-(4-butylsulfonylpiperazin-1-yl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960165
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431
1-methyl-3-propyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
CID 72917154
methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
CID 113225419
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110659279
N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide (CID 71689966) is 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide is CCCS(=O)(=O)N1CCN(CCNC(=O)c2cc(C)n(C)n2)CC1.
What is the InChIKey of 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is VWKODKLLQJDSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-4-11-24(22,23)20-9-7-19(8-10-20)6-5-16-15(21)14-12-13(2)18(3)17-14/h12H,4-11H2,1-3H3,(H,16,21).
What are the key properties of 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71689966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).