1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride

C9H17Cl2N3O2S — CID 75480881

IUPAC1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride
SMILESCc1nn(CCN(C)C)c(C)c1S(=O)(=O)Cl.Cl
InChIInChI=1S/C9H16ClN3O2S.ClH/c1-7-9(16(10,14)15)8(2)13(11-7)6-5-12(3)4;/h5-6H2,1-4H3;1H
InChIKeyKNRJPXXEPAWADU-UHFFFAOYSA-N
MW302.23 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride

1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride (PubChem CID 75480881) has the molecular formula C9H17Cl2N3O2S and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride
PubChem CID75480881
Molecular FormulaC9H17Cl2N3O2S
Molecular Weight302.23 g/mol
Exact Mass301.04
IUPAC Name1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride
SMILESCc1nn(CCN(C)C)c(C)c1S(=O)(=O)Cl.Cl
InChIInChI=1S/C9H16ClN3O2S.ClH/c1-7-9(16(10,14)15)8(2)13(11-7)6-5-12(3)4;/h5-6H2,1-4H3;1H
InChIKeyKNRJPXXEPAWADU-UHFFFAOYSA-N
XLogP1.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride (CID 75480881) is 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride is Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Cl.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride?
The InChIKey is KNRJPXXEPAWADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2S.ClH/c1-7-9(16(10,14)15)8(2)13(11-7)6-5-12(3)4;/h5-6H2,1-4H3;1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride?
1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride has a molecular weight of 302.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 75480881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).