N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide

C25H31N5O — CID 24564882

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N5O/c1-20-24(21(2)30(27-20)18-22-9-5-3-6-10-22)17-26-25(31)19-28-13-15-29(16-14-28)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,26,31)
InChIKeyDCXJZFDGRDKVBY-UHFFFAOYSA-N
MW417.56 g/mol
LogP2.99
Rot. Bonds7

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 24564882) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID24564882
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N5O/c1-20-24(21(2)30(27-20)18-22-9-5-3-6-10-22)17-26-25(31)19-28-13-15-29(16-14-28)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,26,31)
InChIKeyDCXJZFDGRDKVBY-UHFFFAOYSA-N
XLogP2.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 55464336
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide
CID 24664290
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674498
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739313
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetamide
CID 55988727
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 24564882) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is DCXJZFDGRDKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-20-24(21(2)30(27-20)18-22-9-5-3-6-10-22)17-26-25(31)19-28-13-15-29(16-14-28)23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3,(H,26,31).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 417.56 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24564882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).