N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide

C14H21N3O2 — CID 127874853

IUPACN-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2CC23CCOC3)cn1
InChIInChI=1S/C14H21N3O2/c1-13(2,3)17-8-10(7-15-17)16-12(18)11-6-14(11)4-5-19-9-14/h7-8,11H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyNKOZXZBSSKUOEA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.00
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide

N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide (PubChem CID 127874853) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
PubChem CID127874853
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2CC23CCOC3)cn1
InChIInChI=1S/C14H21N3O2/c1-13(2,3)17-8-10(7-15-17)16-12(18)11-6-14(11)4-5-19-9-14/h7-8,11H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyNKOZXZBSSKUOEA-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
CID 122108714
(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124890276
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
CID 129400309
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423
2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 102554342
N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide
CID 136531451
N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56821455
1-(1-tert-butylpyrazol-4-yl)-3-[(1S)-1-[(3R)-oxolan-3-yl]prop-2-ynyl]urea
CID 100697344
N-(1-tert-butylpyrazol-4-yl)pentanamide
CID 86860471
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide (CID 127874853) is N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide is CC(C)(C)n1cc(NC(=O)C2CC23CCOC3)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide?
The InChIKey is NKOZXZBSSKUOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2,3)17-8-10(7-15-17)16-12(18)11-6-14(11)4-5-19-9-14/h7-8,11H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 127874853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).