N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide

C10H10BrN3O — CID 86116848

IUPACN-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide
SMILESO=CNC1=NN(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H10BrN3O/c11-8-2-1-3-9(6-8)14-5-4-10(13-14)12-7-15/h1-3,6-7H,4-5H2,(H,12,13,15)
InChIKeyDOCIPXLJJFTGDG-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.72
Rot. Bonds2

About N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide

N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide (PubChem CID 86116848) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide
PubChem CID86116848
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC NameN-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide
SMILESO=CNC1=NN(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H10BrN3O/c11-8-2-1-3-9(6-8)14-5-4-10(13-14)12-7-15/h1-3,6-7H,4-5H2,(H,12,13,15)
InChIKeyDOCIPXLJJFTGDG-UHFFFAOYSA-N
XLogP1.72
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)pyrrolidine
CID 7016459
2-(3-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 75481580
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 170459088
2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid
CID 137000062
3-(3-bromophenyl)-4-oxoquinazoline-7-carbaldehyde
CID 156822225
6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009745
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
1-(3-bromophenyl)-1,2,4-triazinane-3,5-dione
CID 19829907
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
methyl 2-[1-(3-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetate
CID 61381037
1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
5-oxo-2-phenyl-3,4-dihydropyridazine-6-carboxylic acid
CID 158846622

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide?
The IUPAC name of N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide (CID 86116848) is N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide?
The canonical SMILES for N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide is O=CNC1=NN(c2cccc(Br)c2)CC1.
What is the InChIKey of N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide?
The InChIKey is DOCIPXLJJFTGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-2-1-3-9(6-8)14-5-4-10(13-14)12-7-15/h1-3,6-7H,4-5H2,(H,12,13,15).
What are the key properties of N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide?
N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide has a molecular weight of 268.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3,4-dihydropyrazol-5-yl]formamide is sourced from PubChem (CID 86116848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).