5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide

C18H19N5O2 — CID 121119306

IUPAC5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cnn(-c3ccccc3)c2C)cn1
InChIInChI=1S/C18H19N5O2/c1-13-10-17(24)22(12-20-13)9-8-19-18(25)16-11-21-23(14(16)2)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,25)
InChIKeyXLWOYNJEAVLUPQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.48
Rot. Bonds5

About 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide

5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 121119306) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID121119306
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cnn(-c3ccccc3)c2C)cn1
InChIInChI=1S/C18H19N5O2/c1-13-10-17(24)22(12-20-13)9-8-19-18(25)16-11-21-23(14(16)2)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,25)
InChIKeyXLWOYNJEAVLUPQ-UHFFFAOYSA-N
XLogP1.48
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 91629216
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90489886
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 121119752
2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119254
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 121119306) is 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide is Cc1cc(=O)n(CCNC(=O)c2cnn(-c3ccccc3)c2C)cn1.
What is the InChIKey of 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is XLWOYNJEAVLUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-10-17(24)22(12-20-13)9-8-19-18(25)16-11-21-23(14(16)2)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,25).
What are the key properties of 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 121119306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).