[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

C28H25N3O3 — CID 112802779

IUPAC[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C28H25N3O3/c1-34-26-10-6-5-9-24(26)27-25(19-31(29-27)22-7-3-2-4-8-22)28(33)30-17-15-21(16-18-30)20-11-13-23(32)14-12-20/h2-15,19,32H,16-18H2,1H3
InChIKeyMBUWGUJPWXVJQI-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.18
Rot. Bonds5

About [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone (PubChem CID 112802779) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
PubChem CID112802779
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C28H25N3O3/c1-34-26-10-6-5-9-24(26)27-25(19-31(29-27)22-7-3-2-4-8-22)28(33)30-17-15-21(16-18-30)20-11-13-23(32)14-12-20/h2-15,19,32H,16-18H2,1H3
InChIKeyMBUWGUJPWXVJQI-UHFFFAOYSA-N
XLogP5.18
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763166
4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112827519
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39510688
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
(5-chloro-4-iodo-2-methoxyphenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone (CID 112802779) is [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The InChIKey is MBUWGUJPWXVJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-34-26-10-6-5-9-24(26)27-25(19-31(29-27)22-7-3-2-4-8-22)28(33)30-17-15-21(16-18-30)20-11-13-23(32)14-12-20/h2-15,19,32H,16-18H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone has a molecular weight of 451.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone is sourced from PubChem (CID 112802779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).