1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one

C27H24ClFN4O2 — CID 159560646

IUPAC1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one
SMILESCc1cc(CCC(=O)C(C)c2cnc(C(=O)Cc3ccc(F)cc3)nc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C27H24ClFN4O2/c1-17-12-24(33(32-17)23-5-3-4-21(28)14-23)10-11-25(34)18(2)20-15-30-27(31-16-20)26(35)13-19-6-8-22(29)9-7-19/h3-9,12,14-16,18H,10-11,13H2,1-2H3
InChIKeyDNRDHOCJEHIQOM-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.49
Rot. Bonds9

About 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one

1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one (PubChem CID 159560646) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one
PubChem CID159560646
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one
SMILESCc1cc(CCC(=O)C(C)c2cnc(C(=O)Cc3ccc(F)cc3)nc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C27H24ClFN4O2/c1-17-12-24(33(32-17)23-5-3-4-21(28)14-23)10-11-25(34)18(2)20-15-30-27(31-16-20)26(35)13-19-6-8-22(29)9-7-19/h3-9,12,14-16,18H,10-11,13H2,1-2H3
InChIKeyDNRDHOCJEHIQOM-UHFFFAOYSA-N
XLogP5.49
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one 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-(3-chlorophenyl)-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801914
N-(3-chlorophenyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802869
US20250092066, Example 16
CID 176510920
7-Chloro-2-(4-fluorophenyl)-3-(2-propan-2-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 10109504
2-(2-chloro-4-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
CID 17818817
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
CID 18674045
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
CID 18674186
4-[[4-(3-Chloro-4-fluoroanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]cyclohexan-1-one
CID 21874146
3-[2-(3-Chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]benzamide
CID 59354346
3-[2-(3-chloro-4-fluoroanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 59354513
1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]propan-1-one
CID 60108391
2-[5-Chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one (CID 159560646) is 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one is Cc1cc(CCC(=O)C(C)c2cnc(C(=O)Cc3ccc(F)cc3)nc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one?
The InChIKey is DNRDHOCJEHIQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-17-12-24(33(32-17)23-5-3-4-21(28)14-23)10-11-25(34)18(2)20-15-30-27(31-16-20)26(35)13-19-6-8-22(29)9-7-19/h3-9,12,14-16,18H,10-11,13H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one?
1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one has a molecular weight of 490.97 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[2-[2-(4-fluorophenyl)acetyl]pyrimidin-5-yl]pentan-3-one is sourced from PubChem (CID 159560646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).