N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide

C19H23FN4O2 — CID 46994246

IUPACN'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1
InChIInChI=1S/C19H23FN4O2/c1-12-3-6-15(20)17(9-12)21-18(25)7-8-19(26)24(2)11-14-10-16(23-22-14)13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyZIYZSFSJXFLQSB-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.11
Rot. Bonds7

About N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide

N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide (PubChem CID 46994246) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide.

Molecular Properties

Compound NameN'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide
PubChem CID46994246
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide
SMILESCc1ccc(F)c(NC(=O)CCC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1
InChIInChI=1S/C19H23FN4O2/c1-12-3-6-15(20)17(9-12)21-18(25)7-8-19(26)24(2)11-14-10-16(23-22-14)13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyZIYZSFSJXFLQSB-UHFFFAOYSA-N
XLogP3.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide 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-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide?
The IUPAC name of N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide (CID 46994246) is N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide.
What is the SMILES notation for N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide?
The canonical SMILES for N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide is Cc1ccc(F)c(NC(=O)CCC(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1.
What is the InChIKey of N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide?
The InChIKey is ZIYZSFSJXFLQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12-3-6-15(20)17(9-12)21-18(25)7-8-19(26)24(2)11-14-10-16(23-22-14)13-4-5-13/h3,6,9-10,13H,4-5,7-8,11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide?
N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide has a molecular weight of 358.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-(2-fluoro-5-methylphenyl)-N'-methylbutanediamide is sourced from PubChem (CID 46994246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).