(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one

C18H27N5O2 — CID 97495284

IUPAC(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C(=O)c1cc(C)[nH]n1)C2
InChIInChI=1S/C18H27N5O2/c1-5-7-22-9-10-23(13(2)3)17(25)18(22)6-8-21(12-18)16(24)15-11-14(4)19-20-15/h5,11,13H,1,6-10,12H2,2-4H3,(H,19,20)/t18-/m0/s1
InChIKeyUHVIYTHGEMKXGQ-SFHVURJKSA-N
MW345.45 g/mol
LogP1.04
Rot. Bonds4

About (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one

(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 97495284) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID97495284
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C(=O)c1cc(C)[nH]n1)C2
InChIInChI=1S/C18H27N5O2/c1-5-7-22-9-10-23(13(2)3)17(25)18(22)6-8-21(12-18)16(24)15-11-14(4)19-20-15/h5,11,13H,1,6-10,12H2,2-4H3,(H,19,20)/t18-/m0/s1
InChIKeyUHVIYTHGEMKXGQ-SFHVURJKSA-N
XLogP1.04
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decan-6-yl]acetonitrile
CID 97495298
(5S)-2-(1-methylpyrrole-2-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495285
(5S)-9-methyl-6-prop-2-enyl-2-(pyridine-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-10-one
CID 97495229
3-(3-methylbut-2-enyl)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 86283128
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42289465
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72900384

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (CID 97495284) is (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C(=O)c1cc(C)[nH]n1)C2.
What is the InChIKey of (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is UHVIYTHGEMKXGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-7-22-9-10-23(13(2)3)17(25)18(22)6-8-21(12-18)16(24)15-11-14(4)19-20-15/h5,11,13H,1,6-10,12H2,2-4H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
(5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 345.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(5-methyl-1H-pyrazole-3-carbonyl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 97495284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).