9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one

C20H24N4O2 — CID 162629499

IUPAC9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(-c2cc(C(=O)N3CCCC34CCCN(C)C4=O)[nH]n2)cc1
InChIInChI=1S/C20H24N4O2/c1-14-5-7-15(8-6-14)16-13-17(22-21-16)18(25)24-12-4-10-20(24)9-3-11-23(2)19(20)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKeyCUEBNJKSLGECFD-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.61
Rot. Bonds2

About 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one

9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629499) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629499
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(-c2cc(C(=O)N3CCCC34CCCN(C)C4=O)[nH]n2)cc1
InChIInChI=1S/C20H24N4O2/c1-14-5-7-15(8-6-14)16-13-17(22-21-16)18(25)24-12-4-10-20(24)9-3-11-23(2)19(20)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKeyCUEBNJKSLGECFD-UHFFFAOYSA-N
XLogP2.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162629499) is 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(-c2cc(C(=O)N3CCCC34CCCN(C)C4=O)[nH]n2)cc1.
What is the InChIKey of 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CUEBNJKSLGECFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-5-7-15(8-6-14)16-13-17(22-21-16)18(25)24-12-4-10-20(24)9-3-11-23(2)19(20)26/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,22).
What are the key properties of 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one?
9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 352.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).