5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C21H18FN5O2S — CID 43055844

IUPAC5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1sc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2S/c1-12-18(13-7-9-14(22)10-8-13)24-21(30-12)25-20(29)16-11-17(19(23)28)27(26-16)15-5-3-2-4-6-15/h2-10,17H,11H2,1H3,(H2,23,28)(H,24,25,29)
InChIKeyCHEAHWVUUMGFPJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.32
Rot. Bonds5

About 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 43055844) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID43055844
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1sc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2S/c1-12-18(13-7-9-14(22)10-8-13)24-21(30-12)25-20(29)16-11-17(19(23)28)27(26-16)15-5-3-2-4-6-15/h2-10,17H,11H2,1H3,(H2,23,28)(H,24,25,29)
InChIKeyCHEAHWVUUMGFPJ-UHFFFAOYSA-N
XLogP3.32
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide 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

5-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 43062462
(3S)-2-(4-fluorophenyl)-5-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629644
(3R)-2-(4-fluorophenyl)-5-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629629
5-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 56500355
5-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46578313
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
1-(1,1-dioxothiolan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42997421
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 43055844) is 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is Cc1sc(NC(=O)C2=NN(c3ccccc3)C(C(N)=O)C2)nc1-c1ccc(F)cc1.
What is the InChIKey of 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is CHEAHWVUUMGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-12-18(13-7-9-14(22)10-8-13)24-21(30-12)25-20(29)16-11-17(19(23)28)27(26-16)15-5-3-2-4-6-15/h2-10,17H,11H2,1H3,(H2,23,28)(H,24,25,29).
What are the key properties of 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 43055844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).