1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine

C11H10BrClFN3 — CID 116818643

IUPAC1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(-c2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C11H10BrClFN3/c1-15-5-11-8(12)6-17(16-11)7-2-3-10(14)9(13)4-7/h2-4,6,15H,5H2,1H3
InChIKeyHTSKUUVAJWMOAW-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.15
Rot. Bonds3

About 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine

1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 116818643) has the molecular formula C11H10BrClFN3 and a molecular weight of 318.58 g/mol. Its IUPAC name is 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID116818643
Molecular FormulaC11H10BrClFN3
Molecular Weight318.58 g/mol
Exact Mass316.97
IUPAC Name1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(-c2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C11H10BrClFN3/c1-15-5-11-8(12)6-17(16-11)7-2-3-10(14)9(13)4-7/h2-4,6,15H,5H2,1H3
InChIKeyHTSKUUVAJWMOAW-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine 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-[4-bromo-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylmethanamine
CID 116818632
1-[4-bromo-5-(3-chloro-4-fluorophenyl)-1-methylpyrazol-3-yl]-N-methylmethanamine
CID 84609488
1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
CID 83890375
2-[4-bromo-1-(4-chloro-2-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818615
4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
CID 83867278
methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
4-bromo-1-(3,4-difluorophenyl)pyrazole-3-carbonitrile
CID 116818891
1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine
CID 171436816
1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
CID 107431150
[4-bromo-1-(3-fluorophenyl)pyrazol-3-yl]methanamine
CID 83903258
1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
1-(3-chloro-4-fluorophenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82420484

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine (CID 116818643) is 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1nn(-c2ccc(F)c(Cl)c2)cc1Br.
What is the InChIKey of 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is HTSKUUVAJWMOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFN3/c1-15-5-11-8(12)6-17(16-11)7-2-3-10(14)9(13)4-7/h2-4,6,15H,5H2,1H3.
What are the key properties of 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 318.58 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116818643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).