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

C13H14F2N4O2 — CID 115319564

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
SMILESNc1cnn(CCNC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C13H14F2N4O2/c14-13(15)21-11-4-2-1-3-10(11)12(20)17-5-6-19-8-9(16)7-18-19/h1-4,7-8,13H,5-6,16H2,(H,17,20)
InChIKeyLKYFIPSCVFIPSR-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.50
Rot. Bonds6

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

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide (PubChem CID 115319564) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
PubChem CID115319564
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
SMILESNc1cnn(CCNC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C13H14F2N4O2/c14-13(15)21-11-4-2-1-3-10(11)12(20)17-5-6-19-8-9(16)7-18-19/h1-4,7-8,13H,5-6,16H2,(H,17,20)
InChIKeyLKYFIPSCVFIPSR-UHFFFAOYSA-N
XLogP1.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
CID 19297512
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide (CID 115319564) is N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide is Nc1cnn(CCNC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
The InChIKey is LKYFIPSCVFIPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c14-13(15)21-11-4-2-1-3-10(11)12(20)17-5-6-19-8-9(16)7-18-19/h1-4,7-8,13H,5-6,16H2,(H,17,20).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide has a molecular weight of 296.28 g/mol, XLogP of 1.50, 6 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]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 115319564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).