N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide

C18H23N5O2 — CID 84596831

IUPACN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)Cc3ccn[nH]3)cc2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(24)23-10-8-22(9-11-23)13-15-2-4-16(5-3-15)20-18(25)12-17-6-7-19-21-17/h2-7H,8-13H2,1H3,(H,19,21)(H,20,25)
InChIKeyIWPVBHKOOJDIOX-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.25
Rot. Bonds5

About N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide

N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 84596831) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID84596831
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(=O)N1CCN(Cc2ccc(NC(=O)Cc3ccn[nH]3)cc2)CC1
InChIInChI=1S/C18H23N5O2/c1-14(24)23-10-8-22(9-11-23)13-15-2-4-16(5-3-15)20-18(25)12-17-6-7-19-21-17/h2-7H,8-13H2,1H3,(H,19,21)(H,20,25)
InChIKeyIWPVBHKOOJDIOX-UHFFFAOYSA-N
XLogP1.25
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide (CID 84596831) is N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide is CC(=O)N1CCN(Cc2ccc(NC(=O)Cc3ccn[nH]3)cc2)CC1.
What is the InChIKey of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is IWPVBHKOOJDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(24)23-10-8-22(9-11-23)13-15-2-4-16(5-3-15)20-18(25)12-17-6-7-19-21-17/h2-7H,8-13H2,1H3,(H,19,21)(H,20,25).
What are the key properties of N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 84596831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).