(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone

C17H27N3O3 — CID 97099037

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCC3(CC2)OC[C@@H](C)O3)c1C
InChIInChI=1S/C17H27N3O3/c1-5-8-20-14(4)15(13(3)18-20)16(21)19-9-6-17(7-10-19)22-11-12(2)23-17/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyLQKNKPJHGPJSSJ-GFCCVEGCSA-N
MW321.42 g/mol
LogP2.28
Rot. Bonds3

About (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone

(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97099037) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97099037
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCC3(CC2)OC[C@@H](C)O3)c1C
InChIInChI=1S/C17H27N3O3/c1-5-8-20-14(4)15(13(3)18-20)16(21)19-9-6-17(7-10-19)22-11-12(2)23-17/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyLQKNKPJHGPJSSJ-GFCCVEGCSA-N
XLogP2.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97099037) is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone is CCCn1nc(C)c(C(=O)N2CCC3(CC2)OC[C@@H](C)O3)c1C.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is LQKNKPJHGPJSSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-8-20-14(4)15(13(3)18-20)16(21)19-9-6-17(7-10-19)22-11-12(2)23-17/h12H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97099037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).