9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C20H26N4O3 — CID 56909506

IUPAC9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1c(CN2CCCC3(C2)CN(C)C(=O)O3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H26N4O3/c1-15-17(18(25)24(22(15)3)16-8-5-4-6-9-16)12-23-11-7-10-20(14-23)13-21(2)19(26)27-20/h4-6,8-9H,7,10-14H2,1-3H3
InChIKeyDIJPFQLHMOCCMZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.90
Rot. Bonds3

About 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56909506) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56909506
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCc1c(CN2CCCC3(C2)CN(C)C(=O)O3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H26N4O3/c1-15-17(18(25)24(22(15)3)16-8-5-4-6-9-16)12-23-11-7-10-20(14-23)13-21(2)19(26)27-20/h4-6,8-9H,7,10-14H2,1-3H3
InChIKeyDIJPFQLHMOCCMZ-UHFFFAOYSA-N
XLogP1.90
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56909506) is 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cc1c(CN2CCCC3(C2)CN(C)C(=O)O3)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is DIJPFQLHMOCCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15-17(18(25)24(22(15)3)16-8-5-4-6-9-16)12-23-11-7-10-20(14-23)13-21(2)19(26)27-20/h4-6,8-9H,7,10-14H2,1-3H3.
What are the key properties of 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 370.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56909506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).