2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide

C22H17ClFN5O2 — CID 136636670

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C22H17ClFN5O2/c1-13-10-20(30)27-22(25-13)29-19(12-18(28-29)14-6-3-2-4-7-14)26-21(31)11-15-16(23)8-5-9-17(15)24/h2-10,12H,11H2,1H3,(H,26,31)(H,25,27,30)
InChIKeyZQTIANFKMAHOSZ-UHFFFAOYSA-N
MW437.86 g/mol
LogP3.90
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 136636670) has the molecular formula C22H17ClFN5O2 and a molecular weight of 437.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID136636670
Molecular FormulaC22H17ClFN5O2
Molecular Weight437.86 g/mol
Exact Mass437.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C22H17ClFN5O2/c1-13-10-20(30)27-22(25-13)29-19(12-18(28-29)14-6-3-2-4-7-14)26-21(31)11-15-16(23)8-5-9-17(15)24/h2-10,12H,11H2,1H3,(H,26,31)(H,25,27,30)
InChIKeyZQTIANFKMAHOSZ-UHFFFAOYSA-N
XLogP3.90
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636673
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide
CID 135879852
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide
CID 136636678
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
CID 135752975
2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide
CID 136636669
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide
CID 135892001
2-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 135753087
1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 136636653
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136615190
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136604738
N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 136605503

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide (CID 136636670) is 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide is Cc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2NC(=O)Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is ZQTIANFKMAHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O2/c1-13-10-20(30)27-22(25-13)29-19(12-18(28-29)14-6-3-2-4-7-14)26-21(31)11-15-16(23)8-5-9-17(15)24/h2-10,12H,11H2,1H3,(H,26,31)(H,25,27,30).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 437.86 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 136636670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).