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

C17H13FN6O3 — CID 141328975

IUPACN-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1ccccc1-n1nc(C#N)cc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C17H13FN6O3/c1-10-4-2-3-5-13(10)24-14(6-11(7-19)22-24)20-15(25)9-23-8-12(18)16(26)21-17(23)27/h2-6,8H,9H2,1H3,(H,20,25)(H,21,26,27)
InChIKeyUQAXWOAKVNUVHS-UHFFFAOYSA-N
MW368.33 g/mol
LogP0.68
Rot. Bonds4

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

N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 141328975) has the molecular formula C17H13FN6O3 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID141328975
Molecular FormulaC17H13FN6O3
Molecular Weight368.33 g/mol
Exact Mass368.10
IUPAC NameN-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1ccccc1-n1nc(C#N)cc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C17H13FN6O3/c1-10-4-2-3-5-13(10)24-14(6-11(7-19)22-24)20-15(25)9-23-8-12(18)16(26)21-17(23)27/h2-6,8H,9H2,1H3,(H,20,25)(H,21,26,27)
InChIKeyUQAXWOAKVNUVHS-UHFFFAOYSA-N
XLogP0.68
TPSA125.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-cyano-1-(2-methylphenyl)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-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 141328975) is N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is Cc1ccccc1-n1nc(C#N)cc1NC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is UQAXWOAKVNUVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O3/c1-10-4-2-3-5-13(10)24-14(6-11(7-19)22-24)20-15(25)9-23-8-12(18)16(26)21-17(23)27/h2-6,8H,9H2,1H3,(H,20,25)(H,21,26,27).
What are the key properties of N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 368.33 g/mol, XLogP of 0.68, 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-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 141328975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).