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

C18H19N5O3 — CID 135752958

IUPACN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H19N5O3/c1-11-4-6-14(7-5-11)26-10-17(25)20-15-8-13(3)22-23(15)18-19-12(2)9-16(24)21-18/h4-9H,10H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyGXNKTZFUSPXFRO-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.90
Rot. Bonds5

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

N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 135752958) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID135752958
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H19N5O3/c1-11-4-6-14(7-5-11)26-10-17(25)20-15-8-13(3)22-23(15)18-19-12(2)9-16(24)21-18/h4-9H,10H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyGXNKTZFUSPXFRO-UHFFFAOYSA-N
XLogP1.90
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-methylphenoxy)acetamide
CID 7484591
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853842
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 16030775
N-[3-(2-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl]-2-phenoxybutanamide
CID 16030795
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(2-fluorophenoxy)acetamide
CID 135551724
3-ethoxy-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 168271652
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
CID 135753062
2-(2-fluorophenoxy)-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 16030752

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide (CID 135752958) is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is GXNKTZFUSPXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-4-6-14(7-5-11)26-10-17(25)20-15-8-13(3)22-23(15)18-19-12(2)9-16(24)21-18/h4-9H,10H2,1-3H3,(H,20,25)(H,19,21,24).
What are the key properties of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 135752958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).