8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H24N4O2 — CID 72902373

IUPAC8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2
InChIInChI=1S/C20H24N4O2/c1-14-17(13-23(2)22-14)19(26)24-10-8-20(9-11-24)12-16(18(25)21-20)15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,21,25)
InChIKeyIOBZHEDYCMQFHX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.01
Rot. Bonds2

About 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72902373) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72902373
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2
InChIInChI=1S/C20H24N4O2/c1-14-17(13-23(2)22-14)19(26)24-10-8-20(9-11-24)12-16(18(25)21-20)15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,21,25)
InChIKeyIOBZHEDYCMQFHX-UHFFFAOYSA-N
XLogP2.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72902373) is 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2.
What is the InChIKey of 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IOBZHEDYCMQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-17(13-23(2)22-14)19(26)24-10-8-20(9-11-24)12-16(18(25)21-20)15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,21,25).
What are the key properties of 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazole-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72902373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).