6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one

C10H11ClN4O3S — CID 86002072

IUPAC6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one
SMILESCC(C)S(=O)(=O)c1cnn(-c2n[nH]c(Cl)cc2=O)c1
InChIInChI=1S/C10H11ClN4O3S/c1-6(2)19(17,18)7-4-12-15(5-7)10-8(16)3-9(11)13-14-10/h3-6H,1-2H3,(H,13,16)
InChIKeyDMVNUFPMBDUQJO-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.79
Rot. Bonds3

About 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one

6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one (PubChem CID 86002072) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one
PubChem CID86002072
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one
SMILESCC(C)S(=O)(=O)c1cnn(-c2n[nH]c(Cl)cc2=O)c1
InChIInChI=1S/C10H11ClN4O3S/c1-6(2)19(17,18)7-4-12-15(5-7)10-8(16)3-9(11)13-14-10/h3-6H,1-2H3,(H,13,16)
InChIKeyDMVNUFPMBDUQJO-UHFFFAOYSA-N
XLogP0.79
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one?
The IUPAC name of 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one (CID 86002072) is 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one.
What is the SMILES notation for 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one?
The canonical SMILES for 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one is CC(C)S(=O)(=O)c1cnn(-c2n[nH]c(Cl)cc2=O)c1.
What is the InChIKey of 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one?
The InChIKey is DMVNUFPMBDUQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c1-6(2)19(17,18)7-4-12-15(5-7)10-8(16)3-9(11)13-14-10/h3-6H,1-2H3,(H,13,16).
What are the key properties of 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one?
6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one has a molecular weight of 302.74 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-propan-2-ylsulfonylpyrazol-1-yl)-1H-pyridazin-4-one is sourced from PubChem (CID 86002072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).