N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide

C12H12F2N4O — CID 115319778

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
SMILESNc1cnn(CCNC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C12H12F2N4O/c13-9-2-1-3-10(14)11(9)12(19)16-4-5-18-7-8(15)6-17-18/h1-3,6-7H,4-5,15H2,(H,16,19)
InChIKeyNHPYRIZEVCGWAY-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.17
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide (PubChem CID 115319778) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
PubChem CID115319778
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
SMILESNc1cnn(CCNC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C12H12F2N4O/c13-9-2-1-3-10(14)11(9)12(19)16-4-5-18-7-8(15)6-17-18/h1-3,6-7H,4-5,15H2,(H,16,19)
InChIKeyNHPYRIZEVCGWAY-UHFFFAOYSA-N
XLogP1.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,6-difluorophenyl)acetamide
CID 115319698
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
CID 115319750
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
CID 115319564
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
CID 113285917
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
CID 115319557
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide (CID 115319778) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide is Nc1cnn(CCNC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
The InChIKey is NHPYRIZEVCGWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-9-2-1-3-10(14)11(9)12(19)16-4-5-18-7-8(15)6-17-18/h1-3,6-7H,4-5,15H2,(H,16,19).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide has a molecular weight of 266.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 115319778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).