methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate

C20H25N3O4S — CID 71808725

IUPACmethyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-20(24)15-8-10-18(11-9-15)28(25,26)21-13-16-12-19(14-6-7-14)23(22-16)17-4-2-3-5-17/h8-12,14,17,21H,2-7,13H2,1H3
InChIKeyXTIKOBZRVYGYJP-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.14
Rot. Bonds7

About methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate

methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate (PubChem CID 71808725) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate
PubChem CID71808725
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Namemethyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-20(24)15-8-10-18(11-9-15)28(25,26)21-13-16-12-19(14-6-7-14)23(22-16)17-4-2-3-5-17/h8-12,14,17,21H,2-7,13H2,1H3
InChIKeyXTIKOBZRVYGYJP-UHFFFAOYSA-N
XLogP3.14
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate (CID 71808725) is methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1.
What is the InChIKey of methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate?
The InChIKey is XTIKOBZRVYGYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-20(24)15-8-10-18(11-9-15)28(25,26)21-13-16-12-19(14-6-7-14)23(22-16)17-4-2-3-5-17/h8-12,14,17,21H,2-7,13H2,1H3.
What are the key properties of methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate?
methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate has a molecular weight of 403.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methylsulfamoyl]benzoate is sourced from PubChem (CID 71808725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).