N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

C18H25N5O — CID 46957686

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2CCN(C)CC2c2ccccc2)cnn1C
InChIInChI=1S/C18H25N5O/c1-14-16(11-19-22(14)3)20-18(24)13-23-10-9-21(2)12-17(23)15-7-5-4-6-8-15/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyPXHKXYBUKWZMGT-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.66
Rot. Bonds4

About N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (PubChem CID 46957686) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
PubChem CID46957686
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
SMILESCc1c(NC(=O)CN2CCN(C)CC2c2ccccc2)cnn1C
InChIInChI=1S/C18H25N5O/c1-14-16(11-19-22(14)3)20-18(24)13-23-10-9-21(2)12-17(23)15-7-5-4-6-8-15/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyPXHKXYBUKWZMGT-UHFFFAOYSA-N
XLogP1.66
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801852
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801831
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
N-(1,5-dimethylpyrazol-4-yl)-2-indazol-2-ylacetamide
CID 134705017
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide (CID 46957686) is N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is Cc1c(NC(=O)CN2CCN(C)CC2c2ccccc2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
The InChIKey is PXHKXYBUKWZMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-16(11-19-22(14)3)20-18(24)13-23-10-9-21(2)12-17(23)15-7-5-4-6-8-15/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide?
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 46957686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).