N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C15H20N4O2 — CID 131683126

IUPACN-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C15H20N4O2/c20-13(17-10-2-1-3-10)11-8-15(11)5-7-19(9-15)14(21)12-4-6-16-18-12/h4,6,10-11H,1-3,5,7-9H2,(H,16,18)(H,17,20)
InChIKeyHSSTXKHDGGGFAD-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.93
Rot. Bonds3

About N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 131683126) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID131683126
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C15H20N4O2/c20-13(17-10-2-1-3-10)11-8-15(11)5-7-19(9-15)14(21)12-4-6-16-18-12/h4,6,10-11H,1-3,5,7-9H2,(H,16,18)(H,17,20)
InChIKeyHSSTXKHDGGGFAD-UHFFFAOYSA-N
XLogP0.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493284
(2R,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493286
N-cyclobutyl-5-(3-methoxy-1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683110
N-cyclohexyl-4-(1H-pyrazole-5-carbonyl)piperazine-1-carboxamide
CID 138993599
N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 155872159
N-cyclobutyl-5-(3-hydroxycyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682925
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 97493493
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
N-cyclobutyl-5-[2-(1-hydroxycyclobutyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683019
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
(2R,3R)-N-cyclobutyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778397
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 131683126) is N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC1CCC1)C1CC12CCN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is HSSTXKHDGGGFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-13(17-10-2-1-3-10)11-8-15(11)5-7-19(9-15)14(21)12-4-6-16-18-12/h4,6,10-11H,1-3,5,7-9H2,(H,16,18)(H,17,20).
What are the key properties of N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 131683126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).