8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

C15H21N3O3 — CID 132775762

IUPAC8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C15H21N3O3/c1-2-4-12-11(9-16-17-12)14(20)18-7-6-15(13(19)10-18)5-3-8-21-15/h9H,2-8,10H2,1H3,(H,16,17)
InChIKeyDCDAXQWGGWXJOY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.33
Rot. Bonds3

About 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one

8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (PubChem CID 132775762) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
PubChem CID132775762
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C15H21N3O3/c1-2-4-12-11(9-16-17-12)14(20)18-7-6-15(13(19)10-18)5-3-8-21-15/h9H,2-8,10H2,1H3,(H,16,17)
InChIKeyDCDAXQWGGWXJOY-UHFFFAOYSA-N
XLogP1.33
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5-methyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775463
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56868207
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
8-(2-methyl-1,3-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775486
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
1-[(3,5-dimethylphenyl)methyl]-4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 70767260
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204422
2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
CID 166350503
2-(5-propyl-1H-pyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 166259909
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
8-(5-fluoro-3-methyl-1H-indole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132764186

Frequently Asked Questions

What is the IUPAC name of 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The IUPAC name of 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one (CID 132775762) is 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The canonical SMILES for 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is CCCc1[nH]ncc1C(=O)N1CCC2(CCCO2)C(=O)C1.
What is the InChIKey of 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
The InChIKey is DCDAXQWGGWXJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-4-12-11(9-16-17-12)14(20)18-7-6-15(13(19)10-18)5-3-8-21-15/h9H,2-8,10H2,1H3,(H,16,17).
What are the key properties of 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one?
8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one has a molecular weight of 291.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 132775762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).