2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide

C20H16ClN5O2S — CID 135912430

IUPAC2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H16ClN5O2S/c1-12-9-18(27)24-20(22-12)26-17(11-15(25-26)16-3-2-8-29-16)23-19(28)10-13-4-6-14(21)7-5-13/h2-9,11H,10H2,1H3,(H,23,28)(H,22,24,27)
InChIKeyGERHZSPNGUVUJQ-UHFFFAOYSA-N
MW425.90 g/mol
LogP3.83
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (PubChem CID 135912430) has the molecular formula C20H16ClN5O2S and a molecular weight of 425.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
PubChem CID135912430
Molecular FormulaC20H16ClN5O2S
Molecular Weight425.90 g/mol
Exact Mass425.07
IUPAC Name2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H16ClN5O2S/c1-12-9-18(27)24-20(22-12)26-17(11-15(25-26)16-3-2-8-29-16)23-19(28)10-13-4-6-14(21)7-5-13/h2-9,11H,10H2,1H3,(H,23,28)(H,22,24,27)
InChIKeyGERHZSPNGUVUJQ-UHFFFAOYSA-N
XLogP3.83
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide (CID 135912430) is 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
The InChIKey is GERHZSPNGUVUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2S/c1-12-9-18(27)24-20(22-12)26-17(11-15(25-26)16-3-2-8-29-16)23-19(28)10-13-4-6-14(21)7-5-13/h2-9,11H,10H2,1H3,(H,23,28)(H,22,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide?
2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide has a molecular weight of 425.90 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 135912430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).