butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate

C18H29N3O2 — CID 176835406

IUPACbutyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
SMILESCCCCOC(=O)Nc1c(C2CCC2)c(C2CCCC2)nn1C
InChIInChI=1S/C18H29N3O2/c1-3-4-12-23-18(22)19-17-15(13-10-7-11-13)16(20-21(17)2)14-8-5-6-9-14/h13-14H,3-12H2,1-2H3,(H,19,22)
InChIKeyZDURFVWJSXUMFH-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.69
Rot. Bonds6

About butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate

butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate (PubChem CID 176835406) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
PubChem CID176835406
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Namebutyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate
SMILESCCCCOC(=O)Nc1c(C2CCC2)c(C2CCCC2)nn1C
InChIInChI=1S/C18H29N3O2/c1-3-4-12-23-18(22)19-17-15(13-10-7-11-13)16(20-21(17)2)14-8-5-6-9-14/h13-14H,3-12H2,1-2H3,(H,19,22)
InChIKeyZDURFVWJSXUMFH-UHFFFAOYSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate?
The IUPAC name of butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate (CID 176835406) is butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate?
The canonical SMILES for butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate is CCCCOC(=O)Nc1c(C2CCC2)c(C2CCCC2)nn1C.
What is the InChIKey of butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate?
The InChIKey is ZDURFVWJSXUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-4-12-23-18(22)19-17-15(13-10-7-11-13)16(20-21(17)2)14-8-5-6-9-14/h13-14H,3-12H2,1-2H3,(H,19,22).
What are the key properties of butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate?
butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate has a molecular weight of 319.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4-cyclobutyl-5-cyclopentyl-2-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 176835406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).