1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride

C7H9ClN2O2S — CID 60911764

IUPAC1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(CC2CC2)c1
InChIInChI=1S/C7H9ClN2O2S/c8-13(11,12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyMWJUSOZDDOOTPT-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.22
Rot. Bonds3

About 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride

1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride (PubChem CID 60911764) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride
PubChem CID60911764
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(CC2CC2)c1
InChIInChI=1S/C7H9ClN2O2S/c8-13(11,12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2
InChIKeyMWJUSOZDDOOTPT-UHFFFAOYSA-N
XLogP1.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride (CID 60911764) is 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is MWJUSOZDDOOTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2.
What are the key properties of 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride?
1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 60911764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).