[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

C27H26N4O3 — CID 112763080

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C27H26N4O3/c1-34-25-10-6-5-9-23(25)26-24(19-31(28-26)21-7-3-2-4-8-21)27(33)30-17-15-29(16-18-30)20-11-13-22(32)14-12-20/h2-14,19,32H,15-18H2,1H3
InChIKeyKKLQVVSLZJKCBR-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.22
Rot. Bonds5

About [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone (PubChem CID 112763080) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
PubChem CID112763080
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C27H26N4O3/c1-34-25-10-6-5-9-23(25)26-24(19-31(28-26)21-7-3-2-4-8-21)27(33)30-17-15-29(16-18-30)20-11-13-22(32)14-12-20/h2-14,19,32H,15-18H2,1H3
InChIKeyKKLQVVSLZJKCBR-UHFFFAOYSA-N
XLogP4.22
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763166
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112802779
4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112827519
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39510688
3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 31646408
[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25393779
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
3-(2-methoxyphenyl)-1-phenyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32947167

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone (CID 112763080) is [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
The InChIKey is KKLQVVSLZJKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-34-25-10-6-5-9-23(25)26-24(19-31(28-26)21-7-3-2-4-8-21)27(33)30-17-15-29(16-18-30)20-11-13-22(32)14-12-20/h2-14,19,32H,15-18H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone has a molecular weight of 454.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone is sourced from PubChem (CID 112763080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).