N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide

C22H25N5O — CID 53317616

IUPACN-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1
InChIInChI=1S/C22H25N5O/c1-16(28)23-19-5-3-4-18(14-19)22-15-21(24-25-22)17-6-8-20(9-7-17)27-12-10-26(2)11-13-27/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyQHDATSVKOLPQLP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.45
Rot. Bonds4

About N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide

N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide (PubChem CID 53317616) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide
PubChem CID53317616
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1
InChIInChI=1S/C22H25N5O/c1-16(28)23-19-5-3-4-18(14-19)22-15-21(24-25-22)17-6-8-20(9-7-17)27-12-10-26(2)11-13-27/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyQHDATSVKOLPQLP-UHFFFAOYSA-N
XLogP3.45
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide (CID 53317616) is N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1.
What is the InChIKey of N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide?
The InChIKey is QHDATSVKOLPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(28)23-19-5-3-4-18(14-19)22-15-21(24-25-22)17-6-8-20(9-7-17)27-12-10-26(2)11-13-27/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide?
N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53317616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).