(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone

C28H27ClN4O2 — CID 16925613

IUPAC(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C28H27ClN4O2/c29-25-13-7-8-14-26(25)31-15-17-32(18-16-31)28(34)24-20-33(19-22-9-3-1-4-10-22)30-27(24)35-21-23-11-5-2-6-12-23/h1-14,20H,15-19,21H2
InChIKeySCLFUNLKACZSEV-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.13
Rot. Bonds7

About (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone

(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 16925613) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID16925613
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C28H27ClN4O2/c29-25-13-7-8-14-26(25)31-15-17-32(18-16-31)28(34)24-20-33(19-22-9-3-1-4-10-22)30-27(24)35-21-23-11-5-2-6-12-23/h1-14,20H,15-19,21H2
InChIKeySCLFUNLKACZSEV-UHFFFAOYSA-N
XLogP5.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925732
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 40925650
[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25393779
[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25360793
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9209986
[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3403374
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925835
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 16925613) is (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone is O=C(c1cn(Cc2ccccc2)nc1OCc1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is SCLFUNLKACZSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c29-25-13-7-8-14-26(25)31-15-17-32(18-16-31)28(34)24-20-33(19-22-9-3-1-4-10-22)30-27(24)35-21-23-11-5-2-6-12-23/h1-14,20H,15-19,21H2.
What are the key properties of (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 487.00 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylmethoxypyrazol-4-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16925613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).