(4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

C12H16ClN3O2 — CID 77093919

IUPAC(4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCn1cc(Cl)c(C(=O)N2CCC3(CCO3)CC2)n1
InChIInChI=1S/C12H16ClN3O2/c1-15-8-9(13)10(14-15)11(17)16-5-2-12(3-6-16)4-7-18-12/h8H,2-7H2,1H3
InChIKeyVRVBOEIEMZHOOG-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.47
Rot. Bonds1

About (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone

(4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 77093919) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID77093919
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCn1cc(Cl)c(C(=O)N2CCC3(CCO3)CC2)n1
InChIInChI=1S/C12H16ClN3O2/c1-15-8-9(13)10(14-15)11(17)16-5-2-12(3-6-16)4-7-18-12/h8H,2-7H2,1H3
InChIKeyVRVBOEIEMZHOOG-UHFFFAOYSA-N
XLogP1.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone (CID 77093919) is (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is Cn1cc(Cl)c(C(=O)N2CCC3(CCO3)CC2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is VRVBOEIEMZHOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15-8-9(13)10(14-15)11(17)16-5-2-12(3-6-16)4-7-18-12/h8H,2-7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone?
(4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 77093919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).