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

C13H16N4OS — CID 115319726

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCn2cc(N)cn2)cc1
InChIInChI=1S/C13H16N4OS/c1-19-12-4-2-10(3-5-12)13(18)15-6-7-17-9-11(14)8-16-17/h2-5,8-9H,6-7,14H2,1H3,(H,15,18)
InChIKeyDKRPFIVUHIOJAR-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.62
Rot. Bonds5

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

N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide (PubChem CID 115319726) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
PubChem CID115319726
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCCn2cc(N)cn2)cc1
InChIInChI=1S/C13H16N4OS/c1-19-12-4-2-10(3-5-12)13(18)15-6-7-17-9-11(14)8-16-17/h2-5,8-9H,6-7,14H2,1H3,(H,15,18)
InChIKeyDKRPFIVUHIOJAR-UHFFFAOYSA-N
XLogP1.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
CID 113285893
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115319761
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
CID 115319557
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]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
CID 115319750
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide (CID 115319726) is N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCCn2cc(N)cn2)cc1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide?
The InChIKey is DKRPFIVUHIOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-19-12-4-2-10(3-5-12)13(18)15-6-7-17-9-11(14)8-16-17/h2-5,8-9H,6-7,14H2,1H3,(H,15,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide has a molecular weight of 276.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 115319726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).