2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide

C19H21N5O2 — CID 91837818

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC(C)c2ccccc2-n2cccn2)c(=O)n1
InChIInChI=1S/C19H21N5O2/c1-13-11-14(2)23(19(26)21-13)12-18(25)22-15(3)16-7-4-5-8-17(16)24-10-6-9-20-24/h4-11,15H,12H2,1-3H3,(H,22,25)
InChIKeySTNZWCWJHMCEAC-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.92
Rot. Bonds5

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 91837818) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID91837818
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)NC(C)c2ccccc2-n2cccn2)c(=O)n1
InChIInChI=1S/C19H21N5O2/c1-13-11-14(2)23(19(26)21-13)12-18(25)22-15(3)16-7-4-5-8-17(16)24-10-6-9-20-24/h4-11,15H,12H2,1-3H3,(H,22,25)
InChIKeySTNZWCWJHMCEAC-UHFFFAOYSA-N
XLogP1.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 97202541
6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
CID 90649963
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 131924136
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 131898641
3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 46993873
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide (CID 91837818) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide is Cc1cc(C)n(CC(=O)NC(C)c2ccccc2-n2cccn2)c(=O)n1.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is STNZWCWJHMCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-11-14(2)23(19(26)21-13)12-18(25)22-15(3)16-7-4-5-8-17(16)24-10-6-9-20-24/h4-11,15H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 91837818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).