4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C13H18N4O3 — CID 77089326

IUPAC4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)c3cn[nH]c3)CC2)OCC1=O
InChIInChI=1S/C13H18N4O3/c1-16-9-13(20-8-11(16)18)2-4-17(5-3-13)12(19)10-6-14-15-7-10/h6-7H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyHQGYZLVSQFZLMD-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.13
Rot. Bonds1

About 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 77089326) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID77089326
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)c3cn[nH]c3)CC2)OCC1=O
InChIInChI=1S/C13H18N4O3/c1-16-9-13(20-8-11(16)18)2-4-17(5-3-13)12(19)10-6-14-15-7-10/h6-7H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyHQGYZLVSQFZLMD-UHFFFAOYSA-N
XLogP-0.13
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
4-methyl-9-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77088345
4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 119073758
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
CID 172661986
3-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63134382
1H-pyrazol-4-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135103946
1-butyl-4-(1H-pyrazole-4-carbonyl)piperazin-2-one
CID 77083126
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 77089326) is 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(C(=O)c3cn[nH]c3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HQGYZLVSQFZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16-9-13(20-8-11(16)18)2-4-17(5-3-13)12(19)10-6-14-15-7-10/h6-7H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 278.31 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 77089326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).