N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide

C14H23N3O2 — CID 118782143

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)C2CCCCO2)[nH]n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)12-8-10(16-17-12)9-15-13(18)11-6-4-5-7-19-11/h8,11H,4-7,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyFITNWYGWQNUCMQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.89
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide (PubChem CID 118782143) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide
PubChem CID118782143
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)C2CCCCO2)[nH]n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)12-8-10(16-17-12)9-15-13(18)11-6-4-5-7-19-11/h8,11H,4-7,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyFITNWYGWQNUCMQ-UHFFFAOYSA-N
XLogP1.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-methyloxolane-2-carboxamide
CID 45184113
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
CID 103850292
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597
(3R,6S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165423758
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
(2S)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxolane-2-carboxamide
CID 7626363
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide (CID 118782143) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide is CC(C)(C)c1cc(CNC(=O)C2CCCCO2)[nH]n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide?
The InChIKey is FITNWYGWQNUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)12-8-10(16-17-12)9-15-13(18)11-6-4-5-7-19-11/h8,11H,4-7,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 118782143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).