N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide

C24H27N5O2 — CID 142483207

IUPACN-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1
InChIInChI=1S/C24H27N5O2/c1-18-16-21(20-6-4-3-5-7-20)8-9-22(18)17-27-12-14-28(15-13-27)24(31)29-11-10-23(26-29)25-19(2)30/h3-11,16H,12-15,17H2,1-2H3,(H,25,26,30)
InChIKeyCTWJPXISSTUPFD-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.60
Rot. Bonds4

About N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide

N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide (PubChem CID 142483207) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
PubChem CID142483207
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1
InChIInChI=1S/C24H27N5O2/c1-18-16-21(20-6-4-3-5-7-20)8-9-22(18)17-27-12-14-28(15-13-27)24(31)29-11-10-23(26-29)25-19(2)30/h3-11,16H,12-15,17H2,1-2H3,(H,25,26,30)
InChIKeyCTWJPXISSTUPFD-UHFFFAOYSA-N
XLogP3.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide (CID 142483207) is N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.
What is the InChIKey of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
The InChIKey is CTWJPXISSTUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-16-21(20-6-4-3-5-7-20)8-9-22(18)17-27-12-14-28(15-13-27)24(31)29-11-10-23(26-29)25-19(2)30/h3-11,16H,12-15,17H2,1-2H3,(H,25,26,30).
What are the key properties of N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide?
N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 142483207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).