1-methyl-3-propylpyrazole-5-sulfonyl chloride

C7H11ClN2O2S — CID 62409850

IUPAC1-methyl-3-propylpyrazole-5-sulfonyl chloride
SMILESCCCc1cc(S(=O)(=O)Cl)n(C)n1
InChIInChI=1S/C7H11ClN2O2S/c1-3-4-6-5-7(10(2)9-6)13(8,11)12/h5H,3-4H2,1-2H3
InChIKeyAYBOHDFQTPODSU-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.30
Rot. Bonds3

About 1-methyl-3-propylpyrazole-5-sulfonyl chloride

1-methyl-3-propylpyrazole-5-sulfonyl chloride (PubChem CID 62409850) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 1-methyl-3-propylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-3-propylpyrazole-5-sulfonyl chloride
PubChem CID62409850
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name1-methyl-3-propylpyrazole-5-sulfonyl chloride
SMILESCCCc1cc(S(=O)(=O)Cl)n(C)n1
InChIInChI=1S/C7H11ClN2O2S/c1-3-4-6-5-7(10(2)9-6)13(8,11)12/h5H,3-4H2,1-2H3
InChIKeyAYBOHDFQTPODSU-UHFFFAOYSA-N
XLogP1.30
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethylpyrazole-3-sulfonyl chloride
CID 50896576
1-(6-methylpyrimidin-4-yl)-3-propylpyrazole-5-sulfonyl chloride
CID 55210622
1-tert-butyl-3-propylpyrazole-5-sulfonamide
CID 62408137
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
1-ethyl-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 62409302
2,6-dipropylimidazo[1,2-b]pyridazine-3-sulfonyl chloride
CID 87330897
1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
CID 115908857
1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
CID 115923316
1-methyl-3-propyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
CID 72917154
2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
CID 66022661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylpyrazole-5-sulfonyl chloride?
The IUPAC name of 1-methyl-3-propylpyrazole-5-sulfonyl chloride (CID 62409850) is 1-methyl-3-propylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 1-methyl-3-propylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 1-methyl-3-propylpyrazole-5-sulfonyl chloride is CCCc1cc(S(=O)(=O)Cl)n(C)n1.
What is the InChIKey of 1-methyl-3-propylpyrazole-5-sulfonyl chloride?
The InChIKey is AYBOHDFQTPODSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-3-4-6-5-7(10(2)9-6)13(8,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-propylpyrazole-5-sulfonyl chloride?
1-methyl-3-propylpyrazole-5-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 62409850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).