(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane

C17H29N3O — CID 164635971

IUPAC(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCCCn1nc(C)c(CN2C[C@H](C)OC3(CCC3)C2)c1C
InChIInChI=1S/C17H29N3O/c1-5-9-20-15(4)16(14(3)18-20)11-19-10-13(2)21-17(12-19)7-6-8-17/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyDPHHXFZTVXHCEW-ZDUSSCGKSA-N
MW291.44 g/mol
LogP3.05
Rot. Bonds4

About (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane

(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 164635971) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
PubChem CID164635971
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCCCn1nc(C)c(CN2C[C@H](C)OC3(CCC3)C2)c1C
InChIInChI=1S/C17H29N3O/c1-5-9-20-15(4)16(14(3)18-20)11-19-10-13(2)21-17(12-19)7-6-8-17/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyDPHHXFZTVXHCEW-ZDUSSCGKSA-N
XLogP3.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane (CID 164635971) is (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane is CCCn1nc(C)c(CN2C[C@H](C)OC3(CCC3)C2)c1C.
What is the InChIKey of (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is DPHHXFZTVXHCEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-9-20-15(4)16(14(3)18-20)11-19-10-13(2)21-17(12-19)7-6-8-17/h13H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 291.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 164635971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).