(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone

C14H21N3O2 — CID 154751501

IUPAC(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone
SMILESCC1(C)COCCN1C(=O)C1CCCc2cn[nH]c21
InChIInChI=1S/C14H21N3O2/c1-14(2)9-19-7-6-17(14)13(18)11-5-3-4-10-8-15-16-12(10)11/h8,11H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyZYXWJYGNZPBKEW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds1

About (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone

(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone (PubChem CID 154751501) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone
PubChem CID154751501
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone
SMILESCC1(C)COCCN1C(=O)C1CCCc2cn[nH]c21
InChIInChI=1S/C14H21N3O2/c1-14(2)9-19-7-6-17(14)13(18)11-5-3-4-10-8-15-16-12(10)11/h8,11H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyZYXWJYGNZPBKEW-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone (CID 154751501) is (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone is CC1(C)COCCN1C(=O)C1CCCc2cn[nH]c21.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone?
The InChIKey is ZYXWJYGNZPBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)9-19-7-6-17(14)13(18)11-5-3-4-10-8-15-16-12(10)11/h8,11H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone?
(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone is sourced from PubChem (CID 154751501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).