2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide

C24H29N5O — CID 166193218

IUPAC2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c1-25-23(30)19-28-14-12-27(13-15-28)17-22-18-29(16-20-8-4-2-5-9-20)26-24(22)21-10-6-3-7-11-21/h2-11,18H,12-17,19H2,1H3,(H,25,30)
InChIKeyGAXGHAKRRICCKL-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide

2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 166193218) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide
PubChem CID166193218
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c1-25-23(30)19-28-14-12-27(13-15-28)17-22-18-29(16-20-8-4-2-5-9-20)26-24(22)21-10-6-3-7-11-21/h2-11,18H,12-17,19H2,1H3,(H,25,30)
InChIKeyGAXGHAKRRICCKL-UHFFFAOYSA-N
XLogP2.46
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(1-benzyl-3-phenylpyrazol-4-yl)methyl-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 155945995
2-[4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 36521915
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
2-[4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 60601188
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30767142
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
2-[4-[(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 98715989
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
1-[[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122040766
2-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300296
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide (CID 166193218) is 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is GAXGHAKRRICCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-25-23(30)19-28-14-12-27(13-15-28)17-22-18-29(16-20-8-4-2-5-9-20)26-24(22)21-10-6-3-7-11-21/h2-11,18H,12-17,19H2,1H3,(H,25,30).
What are the key properties of 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 403.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 166193218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).