1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride

C11H13ClN4O2S — CID 55210622

IUPAC1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride
SMILESCCCc1cc(S(=O)(=O)Cl)n(-c2cc(C)ncn2)n1
InChIInChI=1S/C11H13ClN4O2S/c1-3-4-9-6-11(19(12,17)18)16(15-9)10-5-8(2)13-7-14-10/h5-7H,3-4H2,1-2H3
InChIKeyXWDQKQDIESTMEF-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.85
Rot. Bonds4

About 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride

1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride (PubChem CID 55210622) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride
PubChem CID55210622
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride
SMILESCCCc1cc(S(=O)(=O)Cl)n(-c2cc(C)ncn2)n1
InChIInChI=1S/C11H13ClN4O2S/c1-3-4-9-6-11(19(12,17)18)16(15-9)10-5-8(2)13-7-14-10/h5-7H,3-4H2,1-2H3
InChIKeyXWDQKQDIESTMEF-UHFFFAOYSA-N
XLogP1.85
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride?
The IUPAC name of 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride (CID 55210622) is 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride is CCCc1cc(S(=O)(=O)Cl)n(-c2cc(C)ncn2)n1.
What is the InChIKey of 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride?
The InChIKey is XWDQKQDIESTMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-3-4-9-6-11(19(12,17)18)16(15-9)10-5-8(2)13-7-14-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride?
1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride has a molecular weight of 300.77 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 55210622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).