9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C21H28N4O — CID 162634042

IUPAC9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2Cc2ccc(-n3cccn3)cc2)C1=O
InChIInChI=1S/C21H28N4O/c1-2-13-23-14-3-10-21(20(23)26)11-4-15-24(21)17-18-6-8-19(9-7-18)25-16-5-12-22-25/h5-9,12,16H,2-4,10-11,13-15,17H2,1H3
InChIKeyWFDSQAPKWKILOY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.24
Rot. Bonds5

About 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162634042) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162634042
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2Cc2ccc(-n3cccn3)cc2)C1=O
InChIInChI=1S/C21H28N4O/c1-2-13-23-14-3-10-21(20(23)26)11-4-15-24(21)17-18-6-8-19(9-7-18)25-16-5-12-22-25/h5-9,12,16H,2-4,10-11,13-15,17H2,1H3
InChIKeyWFDSQAPKWKILOY-UHFFFAOYSA-N
XLogP3.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162634042) is 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2Cc2ccc(-n3cccn3)cc2)C1=O.
What is the InChIKey of 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is WFDSQAPKWKILOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-13-23-14-3-10-21(20(23)26)11-4-15-24(21)17-18-6-8-19(9-7-18)25-16-5-12-22-25/h5-9,12,16H,2-4,10-11,13-15,17H2,1H3.
What are the key properties of 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 352.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162634042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).