N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

C18H15FN6O3 — CID 141390322

IUPACN-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)cc(-n2nc(C#N)cc2NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H15FN6O3/c1-10-3-11(2)5-13(4-10)25-15(6-12(7-20)23-25)21-16(26)9-24-8-14(19)17(27)22-18(24)28/h3-6,8H,9H2,1-2H3,(H,21,26)(H,22,27,28)
InChIKeyNXYQSPYHQOKBGV-UHFFFAOYSA-N
MW382.36 g/mol
LogP0.99
Rot. Bonds4

About N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide

N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 141390322) has the molecular formula C18H15FN6O3 and a molecular weight of 382.36 g/mol. Its IUPAC name is N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID141390322
Molecular FormulaC18H15FN6O3
Molecular Weight382.36 g/mol
Exact Mass382.12
IUPAC NameN-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)cc(-n2nc(C#N)cc2NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H15FN6O3/c1-10-3-11(2)5-13(4-10)25-15(6-12(7-20)23-25)21-16(26)9-24-8-14(19)17(27)22-18(24)28/h3-6,8H,9H2,1-2H3,(H,21,26)(H,22,27,28)
InChIKeyNXYQSPYHQOKBGV-UHFFFAOYSA-N
XLogP0.99
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 141390322) is N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cc(C)cc(-n2nc(C#N)cc2NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is NXYQSPYHQOKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O3/c1-10-3-11(2)5-13(4-10)25-15(6-12(7-20)23-25)21-16(26)9-24-8-14(19)17(27)22-18(24)28/h3-6,8H,9H2,1-2H3,(H,21,26)(H,22,27,28).
What are the key properties of N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 382.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 141390322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).