1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C15H22N4O2 — CID 156587130

IUPAC1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCn1nc(C)cc1C(=O)N1CCCC12CCCNC2=O
InChIInChI=1S/C15H22N4O2/c1-3-19-12(10-11(2)17-19)13(20)18-9-5-7-15(18)6-4-8-16-14(15)21/h10H,3-9H2,1-2H3,(H,16,21)
InChIKeyCFFRJFZLISQCRN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.10
Rot. Bonds2

About 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 156587130) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID156587130
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCn1nc(C)cc1C(=O)N1CCCC12CCCNC2=O
InChIInChI=1S/C15H22N4O2/c1-3-19-12(10-11(2)17-19)13(20)18-9-5-7-15(18)6-4-8-16-14(15)21/h10H,3-9H2,1-2H3,(H,16,21)
InChIKeyCFFRJFZLISQCRN-UHFFFAOYSA-N
XLogP1.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 146672995
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49778457
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46944163
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 49790489
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
N-[(2S)-3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
CID 156014475
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126736699
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 126736716
3-tert-butyl-N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 126736769
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 156587130) is 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is CCn1nc(C)cc1C(=O)N1CCCC12CCCNC2=O.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CFFRJFZLISQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-19-12(10-11(2)17-19)13(20)18-9-5-7-15(18)6-4-8-16-14(15)21/h10H,3-9H2,1-2H3,(H,16,21).
What are the key properties of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 290.37 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 156587130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).