(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one

C17H28N4O — CID 97157268

IUPAC(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one
SMILESCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cn(C)nc1CC
InChIInChI=1S/C17H28N4O/c1-4-11-21-15(13-12-20(3)19-14(13)5-2)18-17(16(21)22)9-7-6-8-10-17/h12,15,18H,4-11H2,1-3H3/t15-/m0/s1
InChIKeyKMOLDQFNLXAWQK-HNNXBMFYSA-N
MW304.44 g/mol
LogP2.53
Rot. Bonds4

About (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one

(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 97157268) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one
PubChem CID97157268
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one
SMILESCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cn(C)nc1CC
InChIInChI=1S/C17H28N4O/c1-4-11-21-15(13-12-20(3)19-14(13)5-2)18-17(16(21)22)9-7-6-8-10-17/h12,15,18H,4-11H2,1-3H3/t15-/m0/s1
InChIKeyKMOLDQFNLXAWQK-HNNXBMFYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one (CID 97157268) is (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one is CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cn(C)nc1CC.
What is the InChIKey of (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is KMOLDQFNLXAWQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-11-21-15(13-12-20(3)19-14(13)5-2)18-17(16(21)22)9-7-6-8-10-17/h12,15,18H,4-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one?
(2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 304.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethyl-1-methylpyrazol-4-yl)-3-propyl-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 97157268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).