butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate

C17H27N3O2 — CID 176835402

IUPACbutyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCCCCOC(=O)Nc1c(C2CCC2)c(C2CCC2)nn1C
InChIInChI=1S/C17H27N3O2/c1-3-4-11-22-17(21)18-16-14(12-7-5-8-12)15(19-20(16)2)13-9-6-10-13/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyRPUGTKMNUHODRI-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.30
Rot. Bonds6

About butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate

butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate (PubChem CID 176835402) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
PubChem CID176835402
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Namebutyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCCCCOC(=O)Nc1c(C2CCC2)c(C2CCC2)nn1C
InChIInChI=1S/C17H27N3O2/c1-3-4-11-22-17(21)18-16-14(12-7-5-8-12)15(19-20(16)2)13-9-6-10-13/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyRPUGTKMNUHODRI-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
CID 176835406
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1S)-1-cyclopropylethyl]urea
CID 172633950
1-[4-cyclobutyl-2-methyl-5-(3-oxocyclobutyl)pyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169307
butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 150038372
butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
CID 160683329
butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate
CID 175756110
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
butyl N-[4-(5-hydroxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]carbamate
CID 139312701
butyl 3-cyclohexyl-6-phenylmethoxyindazole-1-carboxylate
CID 86626347
butyl N-[4-(hydroxymethyl)-4,5-dihydro-1,3-thiazol-2-yl]carbamate
CID 151955508

Frequently Asked Questions

What is the IUPAC name of butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The IUPAC name of butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate (CID 176835402) is butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The canonical SMILES for butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate is CCCCOC(=O)Nc1c(C2CCC2)c(C2CCC2)nn1C.
What is the InChIKey of butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The InChIKey is RPUGTKMNUHODRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-4-11-22-17(21)18-16-14(12-7-5-8-12)15(19-20(16)2)13-9-6-10-13/h12-13H,3-11H2,1-2H3,(H,18,21).
What are the key properties of butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate?
butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4,5-di(cyclobutyl)-2-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 176835402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).