1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C17H26N6O3S — CID 19560260

IUPAC1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)CCn3nccc3C)CC2)c(C)n1
InChIInChI=1S/C17H26N6O3S/c1-4-21-13-16(15(3)19-21)27(25,26)22-11-9-20(10-12-22)17(24)6-8-23-14(2)5-7-18-23/h5,7,13H,4,6,8-12H2,1-3H3
InChIKeyWZBOCINQBAKCEE-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.64
Rot. Bonds6

About 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 19560260) has the molecular formula C17H26N6O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID19560260
Molecular FormulaC17H26N6O3S
Molecular Weight394.50 g/mol
Exact Mass394.18
IUPAC Name1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)CCn3nccc3C)CC2)c(C)n1
InChIInChI=1S/C17H26N6O3S/c1-4-21-13-16(15(3)19-21)27(25,26)22-11-9-20(10-12-22)17(24)6-8-23-14(2)5-7-18-23/h5,7,13H,4,6,8-12H2,1-3H3
InChIKeyWZBOCINQBAKCEE-UHFFFAOYSA-N
XLogP0.64
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 19560260) is 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is CCn1cc(S(=O)(=O)N2CCN(C(=O)CCn3nccc3C)CC2)c(C)n1.
What is the InChIKey of 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is WZBOCINQBAKCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3S/c1-4-21-13-16(15(3)19-21)27(25,26)22-11-9-20(10-12-22)17(24)6-8-23-14(2)5-7-18-23/h5,7,13H,4,6,8-12H2,1-3H3.
What are the key properties of 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 394.50 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 19560260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).