1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C18H21N3O2 — CID 91833197

IUPAC1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(CCCn3cccn3)C2)Oc2ccccc21
InChIInChI=1S/C18H21N3O2/c22-16-13-18(23-17-6-2-1-5-15(16)17)7-12-20(14-18)9-4-11-21-10-3-8-19-21/h1-3,5-6,8,10H,4,7,9,11-14H2
InChIKeyXEULTDGTDFHFCM-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.38
Rot. Bonds4

About 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 91833197) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID91833197
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(CCCn3cccn3)C2)Oc2ccccc21
InChIInChI=1S/C18H21N3O2/c22-16-13-18(23-17-6-2-1-5-15(16)17)7-12-20(14-18)9-4-11-21-10-3-8-19-21/h1-3,5-6,8,10H,4,7,9,11-14H2
InChIKeyXEULTDGTDFHFCM-UHFFFAOYSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 124849629
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 74244151
N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide
CID 124852050
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 128731486
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
1'-[2-(1H-indol-3-yl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 142706537
1'-(1,3-thiazol-2-ylmethyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164693461
1'-[3-(3-acetyl-7-ethylindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 58968020
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450
2-[(2S)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124843863

Frequently Asked Questions

What is the IUPAC name of 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 91833197) is 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(CCCn3cccn3)C2)Oc2ccccc21.
What is the InChIKey of 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is XEULTDGTDFHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-16-13-18(23-17-6-2-1-5-15(16)17)7-12-20(14-18)9-4-11-21-10-3-8-19-21/h1-3,5-6,8,10H,4,7,9,11-14H2.
What are the key properties of 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 311.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 91833197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).