cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate

C18H23N3O3 — CID 24844248

IUPACcyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
SMILESCc1c(NC(=O)OC2CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H23N3O3/c1-13-16(19-18(23)24-15-11-7-4-8-12-15)17(22)21(20(13)2)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-12H2,1-2H3,(H,19,23)
InChIKeyWPMBOXGCJQRSOV-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.37
Rot. Bonds3

About cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate

cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate (PubChem CID 24844248) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
PubChem CID24844248
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namecyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
SMILESCc1c(NC(=O)OC2CCCCC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H23N3O3/c1-13-16(19-18(23)24-15-11-7-4-8-12-15)17(22)21(20(13)2)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-12H2,1-2H3,(H,19,23)
InChIKeyWPMBOXGCJQRSOV-UHFFFAOYSA-N
XLogP3.37
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-2-carboxamide
CID 119669112
ethenyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844252
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
tert-butyl N-[(1S,2R)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cycloheptyl]carbamate
CID 96535204
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52990955
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azocane-1-carbothioamide
CID 23771135
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
CID 23853815
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8655486
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969735

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
The IUPAC name of cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate (CID 24844248) is cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate.
What is the SMILES notation for cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
The canonical SMILES for cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate is Cc1c(NC(=O)OC2CCCCC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
The InChIKey is WPMBOXGCJQRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-16(19-18(23)24-15-11-7-4-8-12-15)17(22)21(20(13)2)14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-12H2,1-2H3,(H,19,23).
What are the key properties of cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate?
cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate has a molecular weight of 329.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate is sourced from PubChem (CID 24844248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).