N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide

C21H18FN5O2S — CID 135881094

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C
InChIInChI=1S/C21H18FN5O2S/c1-12-13(2)23-21(25-20(12)29)27-18(11-16(26-27)17-4-3-9-30-17)24-19(28)10-14-5-7-15(22)8-6-14/h3-9,11H,10H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyVGPUJYVZJJRZJM-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.62
Rot. Bonds5

About N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 135881094) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide
PubChem CID135881094
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C
InChIInChI=1S/C21H18FN5O2S/c1-12-13(2)23-21(25-20(12)29)27-18(11-16(26-27)17-4-3-9-30-17)24-19(28)10-14-5-7-15(22)8-6-14/h3-9,11H,10H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyVGPUJYVZJJRZJM-UHFFFAOYSA-N
XLogP3.62
TPSA92.67 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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-Cyclopropyl-1h-Pyrazol-5-Yl)-2-[4-(Thiophen-2-Yl)phenyl]acetamide
CID 5331007
5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875698
5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875703
Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751
N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 135753074
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135753076
2-(thiophen-2-yl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939587
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methylsulfanylbenzamide
CID 156208585
N-[2-[[1-(2-cyanoethyl)-3-phenylpyrazol-5-yl]amino]phenyl]thiophene-2-carboxamide
CID 2997935
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 3235680
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-(thiophen-2-ylmethyl)phenyl)acetamide
CID 44563837

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide (CID 135881094) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide is Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VGPUJYVZJJRZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-12-13(2)23-21(25-20(12)29)27-18(11-16(26-27)17-4-3-9-30-17)24-19(28)10-14-5-7-15(22)8-6-14/h3-9,11H,10H2,1-2H3,(H,24,28)(H,23,25,29).
What are the key properties of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 135881094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).