9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one

C21H26N4O2 — CID 163316785

IUPAC9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)C1=O
InChIInChI=1S/C21H26N4O2/c1-15(2)24-10-4-8-21(20(24)27)9-5-11-25(21)19(26)17-7-3-6-16(12-17)18-13-22-23-14-18/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,22,23)
InChIKeyZIILPVQWIRAMJP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.08
Rot. Bonds3

About 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one

9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163316785) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163316785
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)C1=O
InChIInChI=1S/C21H26N4O2/c1-15(2)24-10-4-8-21(20(24)27)9-5-11-25(21)19(26)17-7-3-6-16(12-17)18-13-22-23-14-18/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,22,23)
InChIKeyZIILPVQWIRAMJP-UHFFFAOYSA-N
XLogP3.08
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630006
9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637277
9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307429
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
1-(2-oxo-1H-quinoline-4-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 163307229
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
(2S)-2-[(R)-cyclopropyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[3-(1H-pyrazol-4-yl)benzoyl]pyrrolidine-2-carboxamide
CID 154606259
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
[3-(1H-pyrazol-4-yl)phenyl]-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 163314428
(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162634819
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one (CID 163316785) is 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)C1=O.
What is the InChIKey of 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ZIILPVQWIRAMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(2)24-10-4-8-21(20(24)27)9-5-11-25(21)19(26)17-7-3-6-16(12-17)18-13-22-23-14-18/h3,6-7,12-15H,4-5,8-11H2,1-2H3,(H,22,23).
What are the key properties of 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 366.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163316785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).