[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C21H22N4O2 — CID 8867347

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C21H22N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,23)
InChIKeyXDXNXAQKAHUCSV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 8867347) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID8867347
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C21H22N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,23)
InChIKeyXDXNXAQKAHUCSV-UHFFFAOYSA-N
XLogP3.05
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 124178682
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557110
5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 137635629
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxyphenyl)-1H-indazole-3-carboxamide
CID 89777950
N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pentyl-1H-pyrazole-3-carboxamide
CID 118557254
US10988459, Example 18
CID 124178618
N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124178648
US10988459, Example 55
CID 124178681
US10988459, Example 61
CID 124178694
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 8867347) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is XDXNXAQKAHUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,23).
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 8867347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).