N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

C20H23N3O3 — CID 131893148

IUPACN-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC(=O)OC12CCCC2
InChIInChI=1S/C20H23N3O3/c1-23(13-15-11-17(22-21-15)14-7-3-2-4-8-14)19(25)16-12-18(24)26-20(16)9-5-6-10-20/h2-4,7-8,11,16H,5-6,9-10,12-13H2,1H3,(H,21,22)
InChIKeyVHJIJHGWCFTKSN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide

N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 131893148) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID131893148
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC(=O)OC12CCCC2
InChIInChI=1S/C20H23N3O3/c1-23(13-15-11-17(22-21-15)14-7-3-2-4-8-14)19(25)16-12-18(24)26-20(16)9-5-6-10-20/h2-4,7-8,11,16H,5-6,9-10,12-13H2,1H3,(H,21,22)
InChIKeyVHJIJHGWCFTKSN-UHFFFAOYSA-N
XLogP2.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

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Related Compounds

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3-(1-cyclopropylcyclopropyl)-1-methyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]urea
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N,N-diethyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
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CID 154895324
N-[2-[(2,5-diphenyl-1,3-thiazol-4-yl)amino]-2-oxoethyl]-2-oxo-N-propan-2-yl-1-oxaspiro[4.5]decane-4-carboxamide
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4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
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(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide (CID 131893148) is N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC(=O)OC12CCCC2.
What is the InChIKey of N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is VHJIJHGWCFTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23(13-15-11-17(22-21-15)14-7-3-2-4-8-14)19(25)16-12-18(24)26-20(16)9-5-6-10-20/h2-4,7-8,11,16H,5-6,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide?
N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 131893148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).