2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C18H25N5O — CID 36845381

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C18H25N5O/c1-15-12-17(21(2)20-15)19-18(24)14-23-10-8-22(9-11-23)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,19,24)
InChIKeyRWEFHMFQMLZVEQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.48
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 36845381) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID36845381
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C18H25N5O/c1-15-12-17(21(2)20-15)19-18(24)14-23-10-8-22(9-11-23)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,19,24)
InChIKeyRWEFHMFQMLZVEQ-UHFFFAOYSA-N
XLogP1.48
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 32660135
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 33019725
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
2-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36800103
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 36801870
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
2-benzyl-N-(2,5-dimethylpyrazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 127685633

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 36845381) is 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)n(C)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is RWEFHMFQMLZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-15-12-17(21(2)20-15)19-18(24)14-23-10-8-22(9-11-23)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 36845381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).