N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide

C20H28N4O2S — CID 90555420

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C20H28N4O2S/c25-27(26,19-8-2-1-3-9-19)22-15-17-14-20(16-10-12-21-13-11-16)24(23-17)18-6-4-5-7-18/h10-14,18-19,22H,1-9,15H2
InChIKeyWUJAEOHEZSWDGJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.81
Rot. Bonds6

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide (PubChem CID 90555420) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
PubChem CID90555420
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C20H28N4O2S/c25-27(26,19-8-2-1-3-9-19)22-15-17-14-20(16-10-12-21-13-11-16)24(23-17)18-6-4-5-7-18/h10-14,18-19,22H,1-9,15H2
InChIKeyWUJAEOHEZSWDGJ-UHFFFAOYSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide (CID 90555420) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide is O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1CCCCC1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide?
The InChIKey is WUJAEOHEZSWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c25-27(26,19-8-2-1-3-9-19)22-15-17-14-20(16-10-12-21-13-11-16)24(23-17)18-6-4-5-7-18/h10-14,18-19,22H,1-9,15H2.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide has a molecular weight of 388.54 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 90555420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).