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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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).