[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C28H30N4O2 — CID 164610360

IUPAC[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C28H30N4O2/c1-30-16-18-31(19-17-30)28(33)23-8-12-24(13-9-23)32-27(22-10-14-25(34-2)15-11-22)20-26(29-32)21-6-4-3-5-7-21/h3-15,27H,16-20H2,1-2H3
InChIKeyMFSQJGPHXRHOPR-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.44
Rot. Bonds5

About [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 164610360) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID164610360
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C28H30N4O2/c1-30-16-18-31(19-17-30)28(33)23-8-12-24(13-9-23)32-27(22-10-14-25(34-2)15-11-22)20-26(29-32)21-6-4-3-5-7-21/h3-15,27H,16-20H2,1-2H3
InChIKeyMFSQJGPHXRHOPR-UHFFFAOYSA-N
XLogP4.44
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-(4-Methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-YL)-benzoic acid
CID 5181298
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
[4-[5-Tert-butyl-3-(3,5-difluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 164622052
4-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 4609705
2-(2-fluorophenyl)-5-{[4-(methoxy)phenyl]methyl}-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 52914154
4-chloro-5-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-phenylpyridazin-3(2H)-one
CID 1511169
4-{2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-2-methyl-1(2H)-phthalazinone
CID 2174323
4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzamide
CID 2952426
4-[(4-benzylpiperazin-1-yl)carbonyl]-2-(3-methoxyphenyl)phthalazin-1(2H)-one
CID 3367257
4-(dimethylamino)-N'-[1-(4-methoxyphenyl)ethylidene]benzohydrazide
CID 5336362
6-(4-{4-[(4-methoxyphenyl)acetyl]-1-piperazinyl}phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 11958374
(E)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 86579981

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 164610360) is [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MFSQJGPHXRHOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-30-16-18-31(19-17-30)28(33)23-8-12-24(13-9-23)32-27(22-10-14-25(34-2)15-11-22)20-26(29-32)21-6-4-3-5-7-21/h3-15,27H,16-20H2,1-2H3.
What are the key properties of [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 454.57 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 164610360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).