N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

C16H15N5O2 — CID 162667544

IUPACN-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H15N5O2/c1-10-8-14(17-11(2)22)21(20-10)16-18-13(9-15(23)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyNSPRURQAFXLVBJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.89
Rot. Bonds3

About N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 162667544) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID162667544
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C16H15N5O2/c1-10-8-14(17-11(2)22)21(20-10)16-18-13(9-15(23)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyNSPRURQAFXLVBJ-UHFFFAOYSA-N
XLogP1.89
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1,7-Dihydro-3,6-dimethyl-1-phenyl-4H-pyrazolo[3,4-b]pyridin-4-one
CID 135403969
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 162667544) is N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is NSPRURQAFXLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-8-14(17-11(2)22)21(20-10)16-18-13(9-15(23)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,22)(H,18,19,23).
What are the key properties of N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 162667544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).