1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride

C10H15ClN2O2S — CID 119030760

IUPAC1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC2CCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H15ClN2O2S/c1-8-10(16(11,14)15)7-13(12-8)6-9-4-2-3-5-9/h7,9H,2-6H2,1H3
InChIKeyJTELNLBRVVFELN-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.31
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride

1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride (PubChem CID 119030760) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride
PubChem CID119030760
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride
SMILESCc1nn(CC2CCCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H15ClN2O2S/c1-8-10(16(11,14)15)7-13(12-8)6-9-4-2-3-5-9/h7,9H,2-6H2,1H3
InChIKeyJTELNLBRVVFELN-UHFFFAOYSA-N
XLogP2.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride (CID 119030760) is 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride is Cc1nn(CC2CCCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride?
The InChIKey is JTELNLBRVVFELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-8-10(16(11,14)15)7-13(12-8)6-9-4-2-3-5-9/h7,9H,2-6H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride?
1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 119030760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).