N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H24N4O3S — CID 51312508

IUPACN-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H24N4O3S/c24-19(21-18-10-11-20-23(18)16-7-2-1-3-8-16)15-6-4-9-17(14-15)22-12-5-13-27(22,25)26/h4,6,9-11,14,16H,1-3,5,7-8,12-13H2,(H,21,24)
InChIKeyVIRSMQFLXWTRDV-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.18
Rot. Bonds4

About N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 51312508) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID51312508
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H24N4O3S/c24-19(21-18-10-11-20-23(18)16-7-2-1-3-8-16)15-6-4-9-17(14-15)22-12-5-13-27(22,25)26/h4,6,9-11,14,16H,1-3,5,7-8,12-13H2,(H,21,24)
InChIKeyVIRSMQFLXWTRDV-UHFFFAOYSA-N
XLogP3.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
N-(2-cyclohexylpyrazol-3-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849692
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 128926995
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 51312508) is N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccnn1C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is VIRSMQFLXWTRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-19(21-18-10-11-20-23(18)16-7-2-1-3-8-16)15-6-4-9-17(14-15)22-12-5-13-27(22,25)26/h4,6,9-11,14,16H,1-3,5,7-8,12-13H2,(H,21,24).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 51312508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).