2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O3 — CID 72932265

IUPAC2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cnn(C(C)C)c1)CC2
InChIInChI=1S/C19H30N4O3/c1-15(2)23-13-16(12-20-23)18(25)21-8-6-19(7-9-21)5-4-17(24)22(14-19)10-11-26-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyLCSLNVMBBFJYMM-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.96
Rot. Bonds5

About 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72932265) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72932265
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cnn(C(C)C)c1)CC2
InChIInChI=1S/C19H30N4O3/c1-15(2)23-13-16(12-20-23)18(25)21-8-6-19(7-9-21)5-4-17(24)22(14-19)10-11-26-3/h12-13,15H,4-11,14H2,1-3H3
InChIKeyLCSLNVMBBFJYMM-UHFFFAOYSA-N
XLogP1.96
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
1-cyclohexyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72859718
3-{(3R*,4S*)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-morpholin-4-ylpiperidin-3-yl}propan-1-ol
CID 72871399
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219
2-(2-hydroxypropyl)-9-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894886
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72914681
2-(2-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72936390
2-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72839161
2-cyclopropyl-9-[2-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72900959
3-{(3R*,4S*)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-morpholin-4-ylpiperidin-3-yl}propanoic acid
CID 72904151

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72932265) is 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1cnn(C(C)C)c1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LCSLNVMBBFJYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)23-13-16(12-20-23)18(25)21-8-6-19(7-9-21)5-4-17(24)22(14-19)10-11-26-3/h12-13,15H,4-11,14H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(1-propan-2-ylpyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72932265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).