N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide

C19H22N4O3 — CID 124852050

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide
SMILESCc1c(NC(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cnn1C
InChIInChI=1S/C19H22N4O3/c1-13-15(10-20-22(13)2)21-18(25)11-23-8-7-19(12-23)9-16(24)14-5-3-4-6-17(14)26-19/h3-6,10H,7-9,11-12H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyUCYZSILXVIRLTC-LJQANCHMSA-N
MW354.41 g/mol
LogP1.78
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide (PubChem CID 124852050) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide
PubChem CID124852050
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide
SMILESCc1c(NC(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cnn1C
InChIInChI=1S/C19H22N4O3/c1-13-15(10-20-22(13)2)21-18(25)11-23-8-7-19(12-23)9-16(24)14-5-3-4-6-17(14)26-19/h3-6,10H,7-9,11-12H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyUCYZSILXVIRLTC-LJQANCHMSA-N
XLogP1.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124843863
1'-(1,5-dimethylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164694189
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 91833197
(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 124849629
N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
CID 164696517
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586073
1'-(1,4-dimethylpyrazol-5-yl)sulfonylspiro[3H-chromene-2,4'-azepane]-4-one
CID 165420390

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide (CID 124852050) is N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide is Cc1c(NC(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide?
The InChIKey is UCYZSILXVIRLTC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-15(10-20-22(13)2)21-18(25)11-23-8-7-19(12-23)9-16(24)14-5-3-4-6-17(14)26-19/h3-6,10H,7-9,11-12H2,1-2H3,(H,21,25)/t19-/m1/s1.
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide?
N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide is sourced from PubChem (CID 124852050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).