2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C24H26FN5O2 — CID 39325357

IUPAC2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H26FN5O2/c1-2-22-21(16-26-30(22)20-6-4-3-5-7-20)24(32)29-14-12-28(13-15-29)17-23(31)27-19-10-8-18(25)9-11-19/h3-11,16H,2,12-15,17H2,1H3,(H,27,31)
InChIKeyYFTLDMLCJHSXQU-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.97
Rot. Bonds6

About 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 39325357) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID39325357
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H26FN5O2/c1-2-22-21(16-26-30(22)20-6-4-3-5-7-20)24(32)29-14-12-28(13-15-29)17-23(31)27-19-10-8-18(25)9-11-19/h3-11,16H,2,12-15,17H2,1H3,(H,27,31)
InChIKeyYFTLDMLCJHSXQU-UHFFFAOYSA-N
XLogP2.97
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55576311
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110885784
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55789547
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815923
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
[4-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 51133320
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 29108150
2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 31738486

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 39325357) is 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is YFTLDMLCJHSXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-2-22-21(16-26-30(22)20-6-4-3-5-7-20)24(32)29-14-12-28(13-15-29)17-23(31)27-19-10-8-18(25)9-11-19/h3-11,16H,2,12-15,17H2,1H3,(H,27,31).
What are the key properties of 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 435.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 39325357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).