[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone

C13H19N3O2 — CID 164688862

IUPAC[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C13H19N3O2/c17-11-3-1-4-13(11)5-2-6-16(9-13)12(18)10-7-14-15-8-10/h7-8,11,17H,1-6,9H2,(H,14,15)/t11-,13+/m1/s1
InChIKeyPWHIMAXJNHQTPF-YPMHNXCESA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds1

About [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 164688862) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID164688862
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC[C@@]2(CCC[C@H]2O)C1
InChIInChI=1S/C13H19N3O2/c17-11-3-1-4-13(11)5-2-6-16(9-13)12(18)10-7-14-15-8-10/h7-8,11,17H,1-6,9H2,(H,14,15)/t11-,13+/m1/s1
InChIKeyPWHIMAXJNHQTPF-YPMHNXCESA-N
XLogP1.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone with MolForge

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Related Compounds

azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689941
[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135091402
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 135093819

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone (CID 164688862) is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC[C@@]2(CCC[C@H]2O)C1.
What is the InChIKey of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is PWHIMAXJNHQTPF-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-3-1-4-13(11)5-2-6-16(9-13)12(18)10-7-14-15-8-10/h7-8,11,17H,1-6,9H2,(H,14,15)/t11-,13+/m1/s1.
What are the key properties of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone?
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 164688862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).