(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

C14H21N3O2 — CID 122159663

IUPAC(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESCc1cn[nH]c1C(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H21N3O2/c1-11-9-15-16-12(11)13(18)17-7-8-19-14(10-17)5-3-2-4-6-14/h9H,2-8,10H2,1H3,(H,15,16)
InChIKeyCRXOAEQYLDLKGN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds1

About (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (PubChem CID 122159663) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
PubChem CID122159663
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESCc1cn[nH]c1C(=O)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H21N3O2/c1-11-9-15-16-12(11)13(18)17-7-8-19-14(10-17)5-3-2-4-6-14/h9H,2-8,10H2,1H3,(H,15,16)
InChIKeyCRXOAEQYLDLKGN-UHFFFAOYSA-N
XLogP1.89
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 139004488
(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone
CID 130660375
(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 75448095
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 71847415
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891
(1-hydroxy-6-sulfanylidene-2-pyridinyl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134886
(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134889
1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 171674639
(2-hydroxy-3-nitrophenyl)-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
CID 99717540

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (CID 122159663) is (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is Cc1cn[nH]c1C(=O)N1CCOC2(CCCCC2)C1.
What is the InChIKey of (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is CRXOAEQYLDLKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-9-15-16-12(11)13(18)17-7-8-19-14(10-17)5-3-2-4-6-14/h9H,2-8,10H2,1H3,(H,15,16).
What are the key properties of (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 122159663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).