4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine

C10H8BrClFN3 — CID 114842775

IUPAC4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine
SMILESNc1c(Br)cnn1Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H8BrClFN3/c11-8-4-15-16(10(8)14)5-6-3-7(12)1-2-9(6)13/h1-4H,5,14H2
InChIKeyRANJNFJXLNFPHQ-UHFFFAOYSA-N
MW304.55 g/mol
LogP3.07
Rot. Bonds2

About 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine

4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine (PubChem CID 114842775) has the molecular formula C10H8BrClFN3 and a molecular weight of 304.55 g/mol. Its IUPAC name is 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine
PubChem CID114842775
Molecular FormulaC10H8BrClFN3
Molecular Weight304.55 g/mol
Exact Mass302.96
IUPAC Name4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine
SMILESNc1c(Br)cnn1Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H8BrClFN3/c11-8-4-15-16(10(8)14)5-6-3-7(12)1-2-9(6)13/h1-4H,5,14H2
InChIKeyRANJNFJXLNFPHQ-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromo-5-chlorophenyl)methyl]-4-nitropyrazol-5-amine
CID 66157629
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
5-bromo-3-[(5-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102974911
5-amino-3-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 103046554
[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103049909
1-[(3-bromo-4-chlorophenyl)methyl]-4-chloropyrazol-5-amine
CID 83230518
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 103051638
5-(2-aminoethyl)-1-[(5-chloro-2-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 103119176
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-amine
CID 114862366
[1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]boronic acid
CID 164658903
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine (CID 114842775) is 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine is Nc1c(Br)cnn1Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine?
The InChIKey is RANJNFJXLNFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFN3/c11-8-4-15-16(10(8)14)5-6-3-7(12)1-2-9(6)13/h1-4H,5,14H2.
What are the key properties of 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine?
4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine has a molecular weight of 304.55 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 114842775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).