N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide

C13H15FN4O — CID 115319750

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCn2cc(N)cn2)c(F)c1
InChIInChI=1S/C13H15FN4O/c1-9-2-3-11(12(14)6-9)13(19)16-4-5-18-8-10(15)7-17-18/h2-3,6-8H,4-5,15H2,1H3,(H,16,19)
InChIKeyXPVXOAHCUIUFAF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide (PubChem CID 115319750) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
PubChem CID115319750
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCn2cc(N)cn2)c(F)c1
InChIInChI=1S/C13H15FN4O/c1-9-2-3-11(12(14)6-9)13(19)16-4-5-18-8-10(15)7-17-18/h2-3,6-8H,4-5,15H2,1H3,(H,16,19)
InChIKeyXPVXOAHCUIUFAF-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115319732
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,6-difluorophenyl)acetamide
CID 115319698
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
CID 113285917
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide (CID 115319750) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCn2cc(N)cn2)c(F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide?
The InChIKey is XPVXOAHCUIUFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-2-3-11(12(14)6-9)13(19)16-4-5-18-8-10(15)7-17-18/h2-3,6-8H,4-5,15H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide has a molecular weight of 262.29 g/mol, XLogP of 1.34, 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-fluoro-4-methylbenzamide is sourced from PubChem (CID 115319750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).