(2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C14H21N3O2 — CID 110203871

IUPAC(2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C14H21N3O2/c1-16-12(4-8-15-16)13(18)17-9-6-14(7-10-17)5-2-3-11-19-14/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeyPTGWGUUMJQQFPA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.60
Rot. Bonds1

About (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110203871) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110203871
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCn1nccc1C(=O)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C14H21N3O2/c1-16-12(4-8-15-16)13(18)17-9-6-14(7-10-17)5-2-3-11-19-14/h4,8H,2-3,5-7,9-11H2,1H3
InChIKeyPTGWGUUMJQQFPA-UHFFFAOYSA-N
XLogP1.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110203871) is (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is Cn1nccc1C(=O)N1CCC2(CCCCO2)CC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is PTGWGUUMJQQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-12(4-8-15-16)13(18)17-9-6-14(7-10-17)5-2-3-11-19-14/h4,8H,2-3,5-7,9-11H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110203871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).