N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide

C27H32FN5O2 — CID 31905864

IUPACN-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)CC2)c1C
InChIInChI=1S/C27H32FN5O2/c1-18(2)26-23(16-29-33(26)22-10-8-21(28)9-11-22)27(35)32-14-12-31(13-15-32)17-25(34)30-24-7-5-6-19(3)20(24)4/h5-11,16,18H,12-15,17H2,1-4H3,(H,30,34)
InChIKeyTYFJESSVZHSGTL-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.15
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide (PubChem CID 31905864) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
PubChem CID31905864
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)CC2)c1C
InChIInChI=1S/C27H32FN5O2/c1-18(2)26-23(16-29-33(26)22-10-8-21(28)9-11-22)27(35)32-14-12-31(13-15-32)17-25(34)30-24-7-5-6-19(3)20(24)4/h5-11,16,18H,12-15,17H2,1-4H3,(H,30,34)
InChIKeyTYFJESSVZHSGTL-UHFFFAOYSA-N
XLogP4.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]acetamide
CID 37205967
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435201
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435301
N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860207
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357
2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55576311
2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30837385
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
1,4-diazepan-1-yl-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119416222
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide (CID 31905864) is N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is TYFJESSVZHSGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-18(2)26-23(16-29-33(26)22-10-8-21(28)9-11-22)27(35)32-14-12-31(13-15-32)17-25(34)30-24-7-5-6-19(3)20(24)4/h5-11,16,18H,12-15,17H2,1-4H3,(H,30,34).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 477.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31905864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).