N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide

C14H23N3O2 — CID 71940687

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
SMILESCc1cc(NC(=O)C2CCOCC2)n(C(C)(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-10-9-12(17(16-10)14(2,3)4)15-13(18)11-5-7-19-8-6-11/h9,11H,5-8H2,1-4H3,(H,15,18)
InChIKeyUOTIWDAAHFVGSH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.31
Rot. Bonds2

About N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide (PubChem CID 71940687) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
PubChem CID71940687
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
SMILESCc1cc(NC(=O)C2CCOCC2)n(C(C)(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-10-9-12(17(16-10)14(2,3)4)15-13(18)11-5-7-19-8-6-11/h9,11H,5-8H2,1-4H3,(H,15,18)
InChIKeyUOTIWDAAHFVGSH-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 55796103
[(1R,3S)-3-[1-tert-butyl-5-(oxane-4-carbonylamino)pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170072754
methyl 2-[4-[(2-tert-butyl-5-methylpyrazol-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55727273
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55726371
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55726022
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55796204
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55796302
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide
CID 134712105

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide (CID 71940687) is N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide is Cc1cc(NC(=O)C2CCOCC2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide?
The InChIKey is UOTIWDAAHFVGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-12(17(16-10)14(2,3)4)15-13(18)11-5-7-19-8-6-11/h9,11H,5-8H2,1-4H3,(H,15,18).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 71940687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).