[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone

C21H23N5O3 — CID 176504904

IUPAC[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCC3(CC2)OCCc2cn[nH]c23)cn1
InChIInChI=1S/C21H23N5O3/c1-28-18-5-3-2-4-17(18)26-14-16(13-23-26)20(27)25-9-7-21(8-10-25)19-15(6-11-29-21)12-22-24-19/h2-5,12-14H,6-11H2,1H3,(H,22,24)
InChIKeyOREJCZHOWLYJEH-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.31
Rot. Bonds3

About [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone

[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone (PubChem CID 176504904) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
PubChem CID176504904
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCC3(CC2)OCCc2cn[nH]c23)cn1
InChIInChI=1S/C21H23N5O3/c1-28-18-5-3-2-4-17(18)26-14-16(13-23-26)20(27)25-9-7-21(8-10-25)19-15(6-11-29-21)12-22-24-19/h2-5,12-14H,6-11H2,1H3,(H,22,24)
InChIKeyOREJCZHOWLYJEH-UHFFFAOYSA-N
XLogP2.31
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone
CID 135104777
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 135089217
[4-(oxolan-3-yl)phenyl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176503159
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone
CID 135095604
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70784414
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-yl-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 176501357
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone (CID 176504904) is [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone is COc1ccccc1-n1cc(C(=O)N2CCC3(CC2)OCCc2cn[nH]c23)cn1.
What is the InChIKey of [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is OREJCZHOWLYJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-28-18-5-3-2-4-17(18)26-14-16(13-23-26)20(27)25-9-7-21(8-10-25)19-15(6-11-29-21)12-22-24-19/h2-5,12-14H,6-11H2,1H3,(H,22,24).
What are the key properties of [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone?
[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 393.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 176504904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).