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

C12H14N4O2 — CID 115319755

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
SMILESNc1cnn(CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C12H14N4O2/c13-9-7-15-16(8-9)6-5-14-12(18)10-3-1-2-4-11(10)17/h1-4,7-8,17H,5-6,13H2,(H,14,18)
InChIKeyWGGMLBNAFMKSJV-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.60
Rot. Bonds4

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

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide (PubChem CID 115319755) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
PubChem CID115319755
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
SMILESNc1cnn(CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C12H14N4O2/c13-9-7-15-16(8-9)6-5-14-12(18)10-3-1-2-4-11(10)17/h1-4,7-8,17H,5-6,13H2,(H,14,18)
InChIKeyWGGMLBNAFMKSJV-UHFFFAOYSA-N
XLogP0.60
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
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]-2-(difluoromethoxy)benzamide
CID 115319564
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]-3-hydroxybenzamide
CID 115319665
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-chloropyridine-4-carboxamide
CID 113285917
2-[2-(4-aminopyrazol-1-yl)ethylamino]benzamide
CID 113285991
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-fluoro-4-methylbenzamide
CID 115319750
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide
CID 113285899

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide (CID 115319755) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide is Nc1cnn(CCNC(=O)c2ccccc2O)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide?
The InChIKey is WGGMLBNAFMKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-9-7-15-16(8-9)6-5-14-12(18)10-3-1-2-4-11(10)17/h1-4,7-8,17H,5-6,13H2,(H,14,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide has a molecular weight of 246.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 115319755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).