(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C19H24N4O — CID 97490258

IUPAC(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(CN2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1
InChIInChI=1S/C19H24N4O/c1-21-13-16(12-20-21)14-22-10-5-8-19(15-22)9-11-23(18(19)24)17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-15H2,1H3/t19-/m1/s1
InChIKeyKWAKZBZYOMNHSV-LJQANCHMSA-N
MW324.43 g/mol
LogP2.44
Rot. Bonds3

About (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490258) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490258
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(CN2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1
InChIInChI=1S/C19H24N4O/c1-21-13-16(12-20-21)14-22-10-5-8-19(15-22)9-11-23(18(19)24)17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-15H2,1H3/t19-/m1/s1
InChIKeyKWAKZBZYOMNHSV-LJQANCHMSA-N
XLogP2.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
(5S)-9-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372066
7-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155839899
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514
(5S)-9-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372070
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490159
2-(1-methylpyrazol-4-yl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155840979
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
(5R)-7-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373784
7-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155829549
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97371992

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 97490258) is (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is Cn1cc(CN2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1.
What is the InChIKey of (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is KWAKZBZYOMNHSV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-13-16(12-20-21)14-22-10-5-8-19(15-22)9-11-23(18(19)24)17-6-3-2-4-7-17/h2-4,6-7,12-13H,5,8-11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).