N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide

C14H14BrF2N3O2 — CID 19297512

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCCn1cc(Br)cn1)c1ccccc1OC(F)F
InChIInChI=1S/C14H14BrF2N3O2/c15-10-8-19-20(9-10)7-3-6-18-13(21)11-4-1-2-5-12(11)22-14(16)17/h1-2,4-5,8-9,14H,3,6-7H2,(H,18,21)
InChIKeyCNUIFODKETXZIH-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.07
Rot. Bonds7

About N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide

N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide (PubChem CID 19297512) has the molecular formula C14H14BrF2N3O2 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
PubChem CID19297512
Molecular FormulaC14H14BrF2N3O2
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
SMILESO=C(NCCCn1cc(Br)cn1)c1ccccc1OC(F)F
InChIInChI=1S/C14H14BrF2N3O2/c15-10-8-19-20(9-10)7-3-6-18-13(21)11-4-1-2-5-12(11)22-14(16)17/h1-2,4-5,8-9,14H,3,6-7H2,(H,18,21)
InChIKeyCNUIFODKETXZIH-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(difluoromethoxy)benzamide
CID 115319564
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-iodobenzamide
CID 19282707
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
benzyl N-[3-(4-bromopyrazol-1-yl)propyl]carbamate
CID 130570425

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide (CID 19297512) is N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide is O=C(NCCCn1cc(Br)cn1)c1ccccc1OC(F)F.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide?
The InChIKey is CNUIFODKETXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O2/c15-10-8-19-20(9-10)7-3-6-18-13(21)11-4-1-2-5-12(11)22-14(16)17/h1-2,4-5,8-9,14H,3,6-7H2,(H,18,21).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide has a molecular weight of 374.19 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 19297512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).