(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone

C22H30N4O — CID 97272470

IUPAC(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)c1C
InChIInChI=1S/C22H30N4O/c1-4-26-17(2)20(15-23-26)21(27)25-12-10-22(11-13-25)14-19(16-24(22)3)18-8-6-5-7-9-18/h5-9,15,19H,4,10-14,16H2,1-3H3/t19-/m1/s1
InChIKeyAKLOHORLLSKFRQ-LJQANCHMSA-N
MW366.51 g/mol
LogP3.31
Rot. Bonds3

About (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone

(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97272470) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97272470
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCCn1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)c1C
InChIInChI=1S/C22H30N4O/c1-4-26-17(2)20(15-23-26)21(27)25-12-10-22(11-13-25)14-19(16-24(22)3)18-8-6-5-7-9-18/h5-9,15,19H,4,10-14,16H2,1-3H3/t19-/m1/s1
InChIKeyAKLOHORLLSKFRQ-LJQANCHMSA-N
XLogP3.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-5-methylpyrazol-4-yl)-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97199126
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137
(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
CID 97453749
(3R,4S)-4-benzyl-1-(1-ethyl-5-methylpyrazole-4-carbonyl)-3-hydroxypiperidine-4-carboxylic acid
CID 135088187
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 72843342
methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
CID 97278100

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97272470) is (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone is CCn1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)c1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is AKLOHORLLSKFRQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-26-17(2)20(15-23-26)21(27)25-12-10-22(11-13-25)14-19(16-24(22)3)18-8-6-5-7-9-18/h5-9,15,19H,4,10-14,16H2,1-3H3/t19-/m1/s1.
What are the key properties of (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone?
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97272470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).