N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide

C24H25ClFN5O2 — CID 26418980

IUPACN-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C24H25ClFN5O2/c1-16-23(17(2)31(28-16)19-9-7-18(26)8-10-19)24(33)30-13-11-29(12-14-30)15-22(32)27-21-6-4-3-5-20(21)25/h3-10H,11-15H2,1-2H3,(H,27,32)
InChIKeyIUMJCOHAZWDTSP-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.68
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 26418980) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID26418980
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC NameN-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C24H25ClFN5O2/c1-16-23(17(2)31(28-16)19-9-7-18(26)8-10-19)24(33)30-13-11-29(12-14-30)15-22(32)27-21-6-4-3-5-20(21)25/h3-10H,11-15H2,1-2H3,(H,27,32)
InChIKeyIUMJCOHAZWDTSP-UHFFFAOYSA-N
XLogP3.68
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 8899117
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56534050
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 31363447
4-[[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 26370104
N-(2-chlorophenyl)-2-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]acetamide
CID 9372195
N-(2-chlorophenyl)-2-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 8749055
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804335
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-[(2R)-2-(4-fluorophenoxy)propanoyl]piperazin-1-yl]acetamide
CID 9020784
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 N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide (CID 26418980) is N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is IUMJCOHAZWDTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-16-23(17(2)31(28-16)19-9-7-18(26)8-10-19)24(33)30-13-11-29(12-14-30)15-22(32)27-21-6-4-3-5-20(21)25/h3-10H,11-15H2,1-2H3,(H,27,32).
What are the key properties of N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 469.95 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 26418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).