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

C12H14N4O2 — CID 115319665

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
SMILESNc1cnn(CCNC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C12H14N4O2/c13-10-7-15-16(8-10)5-4-14-12(18)9-2-1-3-11(17)6-9/h1-3,6-8,17H,4-5,13H2,(H,14,18)
InChIKeyPCOCEOMVZOQYCD-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.60
Rot. Bonds4

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

N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide (PubChem CID 115319665) 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]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
PubChem CID115319665
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
SMILESNc1cnn(CCNC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C12H14N4O2/c13-10-7-15-16(8-10)5-4-14-12(18)9-2-1-3-11(17)6-9/h1-3,6-8,17H,4-5,13H2,(H,14,18)
InChIKeyPCOCEOMVZOQYCD-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]-3-(dimethylamino)benzamide
CID 115319557
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
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]-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]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide (CID 115319665) is N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide is Nc1cnn(CCNC(=O)c2cccc(O)c2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide?
The InChIKey is PCOCEOMVZOQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-10-7-15-16(8-10)5-4-14-12(18)9-2-1-3-11(17)6-9/h1-3,6-8,17H,4-5,13H2,(H,14,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-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]-3-hydroxybenzamide is sourced from PubChem (CID 115319665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).