[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

C29H29N3O2 — CID 55460519

IUPAC[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C29H29N3O2/c1-22-10-8-9-15-26(22)28-27(20-32(30-28)24-13-6-3-7-14-24)29(33)31-18-16-25(17-19-31)34-21-23-11-4-2-5-12-23/h2-15,20,25H,16-19,21H2,1H3
InChIKeyUMHRSLRDCCQBQT-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.67
Rot. Bonds6

About [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 55460519) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID55460519
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C29H29N3O2/c1-22-10-8-9-15-26(22)28-27(20-32(30-28)24-13-6-3-7-14-24)29(33)31-18-16-25(17-19-31)34-21-23-11-4-2-5-12-23/h2-15,20,25H,16-19,21H2,1H3
InChIKeyUMHRSLRDCCQBQT-UHFFFAOYSA-N
XLogP5.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 8852508
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119635418
N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 17404093
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 45356108
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39510688
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56807408
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781057
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8955375

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 55460519) is [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is UMHRSLRDCCQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-22-10-8-9-15-26(22)28-27(20-32(30-28)24-13-6-3-7-14-24)29(33)31-18-16-25(17-19-31)34-21-23-11-4-2-5-12-23/h2-15,20,25H,16-19,21H2,1H3.
What are the key properties of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 451.57 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 55460519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).