cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate

C10H13ClN2O4S — CID 65397527

IUPACcyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
SMILESCc1[nH]nc(C(=O)OC2CCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN2O4S/c1-6-9(18(11,15)16)8(13-12-6)10(14)17-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyZLDRPITXNHCDIE-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.75
Rot. Bonds3

About cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate

cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate (PubChem CID 65397527) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
PubChem CID65397527
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Namecyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate
SMILESCc1[nH]nc(C(=O)OC2CCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN2O4S/c1-6-9(18(11,15)16)8(13-12-6)10(14)17-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyZLDRPITXNHCDIE-UHFFFAOYSA-N
XLogP1.75
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate?
The IUPAC name of cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate (CID 65397527) is cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate is Cc1[nH]nc(C(=O)OC2CCCC2)c1S(=O)(=O)Cl.
What is the InChIKey of cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate?
The InChIKey is ZLDRPITXNHCDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-6-9(18(11,15)16)8(13-12-6)10(14)17-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate?
cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate has a molecular weight of 292.74 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-chlorosulfonyl-5-methyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 65397527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).