[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

C23H24ClN3O2 — CID 55460804

IUPAC[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-22-9-5-4-8-19(22)15-27-16-20(14-25-27)23(28)26-12-10-21(11-13-26)29-17-18-6-2-1-3-7-18/h1-9,14,16,21H,10-13,15,17H2
InChIKeyNXGCGBKCXCIPSP-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.41
Rot. Bonds6

About [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 55460804) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID55460804
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-22-9-5-4-8-19(22)15-27-16-20(14-25-27)23(28)26-12-10-21(11-13-26)29-17-18-6-2-1-3-7-18/h1-9,14,16,21H,10-13,15,17H2
InChIKeyNXGCGBKCXCIPSP-UHFFFAOYSA-N
XLogP4.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55901774
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
N-benzyl-2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 30458634
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 39688452
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119240052

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 55460804) is [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is NXGCGBKCXCIPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-22-9-5-4-8-19(22)15-27-16-20(14-25-27)23(28)26-12-10-21(11-13-26)29-17-18-6-2-1-3-7-18/h1-9,14,16,21H,10-13,15,17H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 409.92 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 55460804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).