N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide

C14H19N5O — CID 115319557

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCCn2cc(N)cn2)c1
InChIInChI=1S/C14H19N5O/c1-18(2)13-5-3-4-11(8-13)14(20)16-6-7-19-10-12(15)9-17-19/h3-5,8-10H,6-7,15H2,1-2H3,(H,16,20)
InChIKeyCXATVBUNVSGAEJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide (PubChem CID 115319557) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
PubChem CID115319557
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCCn2cc(N)cn2)c1
InChIInChI=1S/C14H19N5O/c1-18(2)13-5-3-4-11(8-13)14(20)16-6-7-19-10-12(15)9-17-19/h3-5,8-10H,6-7,15H2,1-2H3,(H,16,20)
InChIKeyCXATVBUNVSGAEJ-UHFFFAOYSA-N
XLogP0.96
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115319761
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332
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]-5-bromopyridine-3-carboxamide
CID 113285893

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide (CID 115319557) is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCCn2cc(N)cn2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide?
The InChIKey is CXATVBUNVSGAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)13-5-3-4-11(8-13)14(20)16-6-7-19-10-12(15)9-17-19/h3-5,8-10H,6-7,15H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-(dimethylamino)benzamide has a molecular weight of 273.34 g/mol, XLogP of 0.96, 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]-3-(dimethylamino)benzamide is sourced from PubChem (CID 115319557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).