N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide

C26H27N5O2 — CID 135857470

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C26H27N5O2/c1-4-21-18(3)27-26(29-25(21)33)31-23(15-17(2)30-31)28-24(32)16-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,22H,4,16H2,1-3H3,(H,28,32)(H,27,29,33)
InChIKeyDWWDBGRQHVADQG-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide (PubChem CID 135857470) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
PubChem CID135857470
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)[nH]c1=O
InChIInChI=1S/C26H27N5O2/c1-4-21-18(3)27-26(29-25(21)33)31-23(15-17(2)30-31)28-24(32)16-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,22H,4,16H2,1-3H3,(H,28,32)(H,27,29,33)
InChIKeyDWWDBGRQHVADQG-UHFFFAOYSA-N
XLogP4.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.30
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-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide (CID 135857470) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
The InChIKey is DWWDBGRQHVADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-4-21-18(3)27-26(29-25(21)33)31-23(15-17(2)30-31)28-24(32)16-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,22H,4,16H2,1-3H3,(H,28,32)(H,27,29,33).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide has a molecular weight of 441.54 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 135857470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).