3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one

C15H23ClN4O — CID 164630659

IUPAC3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
SMILESCN1CCC[C@@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1
InChIInChI=1S/C15H23ClN4O/c1-18-6-2-4-15(11-18)5-8-19(12-15)14(21)3-7-20-10-13(16)9-17-20/h9-10H,2-8,11-12H2,1H3/t15-/m1/s1
InChIKeyFTWUFJATDKBTBM-OAHLLOKOSA-N
MW310.83 g/mol
LogP1.87
Rot. Bonds3

About 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 164630659) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID164630659
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
SMILESCN1CCC[C@@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1
InChIInChI=1S/C15H23ClN4O/c1-18-6-2-4-15(11-18)5-8-19(12-15)14(21)3-7-20-10-13(16)9-17-20/h9-10H,2-8,11-12H2,1H3/t15-/m1/s1
InChIKeyFTWUFJATDKBTBM-OAHLLOKOSA-N
XLogP1.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-3-[(dimethylamino)methyl]-3-piperidinol
CID 56889784
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
2-[(4-chloro-1H-pyrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 56746250
1-({1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70765822
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
CID 91842379
[(5S,10S)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 97503863
[(5R,10S)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 124235039
[(5R,10R)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 124235040
[(5S,10R)-10-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 124235041
[10-Fluoro-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(2-methylcyclopropyl)methanone
CID 131647735

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one (CID 164630659) is 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one is CN1CCC[C@@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is FTWUFJATDKBTBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-18-6-2-4-15(11-18)5-8-19(12-15)14(21)3-7-20-10-13(16)9-17-20/h9-10H,2-8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 310.83 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[(5R)-9-methyl-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 164630659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).