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

C19H14ClN5O2S — CID 135912407

IUPAC2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C19H14ClN5O2S/c1-11-9-17(26)23-19(21-11)25-16(10-14(24-25)15-7-4-8-28-15)22-18(27)12-5-2-3-6-13(12)20/h2-10H,1H3,(H,22,27)(H,21,23,26)
InChIKeyOHTASQZQUOMADN-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.90
Rot. Bonds4

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

2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 135912407) has the molecular formula C19H14ClN5O2S and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
PubChem CID135912407
Molecular FormulaC19H14ClN5O2S
Molecular Weight411.87 g/mol
Exact Mass411.06
IUPAC Name2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C19H14ClN5O2S/c1-11-9-17(26)23-19(21-11)25-16(10-14(24-25)15-7-4-8-28-15)22-18(27)12-5-2-3-6-13(12)20/h2-10H,1H3,(H,22,27)(H,21,23,26)
InChIKeyOHTASQZQUOMADN-UHFFFAOYSA-N
XLogP3.90
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 135912407) is 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
The InChIKey is OHTASQZQUOMADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2S/c1-11-9-17(26)23-19(21-11)25-16(10-14(24-25)15-7-4-8-28-15)22-18(27)12-5-2-3-6-13(12)20/h2-10H,1H3,(H,22,27)(H,21,23,26).
What are the key properties of 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?
2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 411.87 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 135912407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).