1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H23N3O3 — CID 77087417

IUPAC1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCCCc1cc(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)n(C)n1
InChIInChI=1S/C20H23N3O3/c1-3-6-14-11-16(22(2)21-14)19(25)23-10-9-20(13-23)12-17(24)15-7-4-5-8-18(15)26-20/h4-5,7-8,11H,3,6,9-10,12-13H2,1-2H3
InChIKeyNRFGKKLVVLNCSR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.62
Rot. Bonds3

About 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 77087417) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID77087417
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCCCc1cc(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)n(C)n1
InChIInChI=1S/C20H23N3O3/c1-3-6-14-11-16(22(2)21-14)19(25)23-10-9-20(13-23)12-17(24)15-7-4-5-8-18(15)26-20/h4-5,7-8,11H,3,6,9-10,12-13H2,1-2H3
InChIKeyNRFGKKLVVLNCSR-UHFFFAOYSA-N
XLogP2.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1'-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97118337
1'-[3-(3-methoxyphenyl)-1-methylpyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586305
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97415034
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-(2,1,3-benzothiadiazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 71805919
1'-[4-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585914
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
1'-(4-butylcyclohexanecarbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585908
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586258
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151

Frequently Asked Questions

What is the IUPAC name of 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 77087417) is 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is CCCc1cc(C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)n(C)n1.
What is the InChIKey of 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is NRFGKKLVVLNCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-6-14-11-16(22(2)21-14)19(25)23-10-9-20(13-23)12-17(24)15-7-4-5-8-18(15)26-20/h4-5,7-8,11H,3,6,9-10,12-13H2,1-2H3.
What are the key properties of 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 353.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methyl-3-propylpyrazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 77087417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).