5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

C20H28N4O3S — CID 57398166

IUPAC5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C20H28N4O3S/c1-3-15(4-2)22-20(25)18-14-21-24(16-10-6-5-7-11-16)19(18)23-28(26,27)17-12-8-9-13-17/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyDIYQHXAHSSLPHW-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.47
Rot. Bonds8

About 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (PubChem CID 57398166) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
PubChem CID57398166
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C20H28N4O3S/c1-3-15(4-2)22-20(25)18-14-21-24(16-10-6-5-7-11-16)19(18)23-28(26,27)17-12-8-9-13-17/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyDIYQHXAHSSLPHW-UHFFFAOYSA-N
XLogP3.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (CID 57398166) is 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1.
What is the InChIKey of 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DIYQHXAHSSLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-3-15(4-2)22-20(25)18-14-21-24(16-10-6-5-7-11-16)19(18)23-28(26,27)17-12-8-9-13-17/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,22,25).
What are the key properties of 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfonylamino)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57398166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).