[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone

C23H23N3O3 — CID 58551255

IUPAC[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone
SMILESCOCc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1[nH]ncc12
InChIInChI=1S/C23H23N3O3/c1-28-15-16-6-2-3-7-17(16)22(27)26-12-10-23(11-13-26)19-14-24-25-21(19)18-8-4-5-9-20(18)29-23/h2-9,14H,10-13,15H2,1H3,(H,24,25)
InChIKeyFVLPAFFNMMVDBP-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.75
Rot. Bonds3

About [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone

[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone (PubChem CID 58551255) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone
PubChem CID58551255
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone
SMILESCOCc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1[nH]ncc12
InChIInChI=1S/C23H23N3O3/c1-28-15-16-6-2-3-7-17(16)22(27)26-12-10-23(11-13-26)19-14-24-25-21(19)18-8-4-5-9-20(18)29-23/h2-9,14H,10-13,15H2,1H3,(H,24,25)
InChIKeyFVLPAFFNMMVDBP-UHFFFAOYSA-N
XLogP3.75
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone (CID 58551255) is [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone is COCc1ccccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1[nH]ncc12.
What is the InChIKey of [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone?
The InChIKey is FVLPAFFNMMVDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-15-16-6-2-3-7-17(16)22(27)26-12-10-23(11-13-26)19-14-24-25-21(19)18-8-4-5-9-20(18)29-23/h2-9,14H,10-13,15H2,1H3,(H,24,25).
What are the key properties of [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone?
[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone has a molecular weight of 389.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 58551255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).