methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate

C15H24N2O4S — CID 67130882

IUPACmethyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)n1cc(S(=O)(=O)C(C)C)cn1
InChIInChI=1S/C15H24N2O4S/c1-11(2)22(19,20)13-9-16-17(10-13)14(15(18)21-3)8-12-6-4-5-7-12/h9-12,14H,4-8H2,1-3H3
InChIKeyHMEQUNCHLDOTMD-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.36
Rot. Bonds6

About methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate

methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate (PubChem CID 67130882) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate
PubChem CID67130882
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)n1cc(S(=O)(=O)C(C)C)cn1
InChIInChI=1S/C15H24N2O4S/c1-11(2)22(19,20)13-9-16-17(10-13)14(15(18)21-3)8-12-6-4-5-7-12/h9-12,14H,4-8H2,1-3H3
InChIKeyHMEQUNCHLDOTMD-UHFFFAOYSA-N
XLogP2.36
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate (CID 67130882) is methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate is COC(=O)C(CC1CCCC1)n1cc(S(=O)(=O)C(C)C)cn1.
What is the InChIKey of methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate?
The InChIKey is HMEQUNCHLDOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11(2)22(19,20)13-9-16-17(10-13)14(15(18)21-3)8-12-6-4-5-7-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate?
methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate has a molecular weight of 328.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-(4-propan-2-ylsulfonylpyrazol-1-yl)propanoate is sourced from PubChem (CID 67130882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).