2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

C14H18BrFN4 — CID 114646291

IUPAC2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(N)c1cccc(F)c1
InChIInChI=1S/C14H18BrFN4/c1-19(2)6-7-20-14(12(15)9-18-20)13(17)10-4-3-5-11(16)8-10/h3-5,8-9,13H,6-7,17H2,1-2H3
InChIKeyAKWXIKRZEAESCM-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.39
Rot. Bonds5

About 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114646291) has the molecular formula C14H18BrFN4 and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114646291
Molecular FormulaC14H18BrFN4
Molecular Weight341.23 g/mol
Exact Mass340.07
IUPAC Name2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(N)c1cccc(F)c1
InChIInChI=1S/C14H18BrFN4/c1-19(2)6-7-20-14(12(15)9-18-20)13(17)10-4-3-5-11(16)8-10/h3-5,8-9,13H,6-7,17H2,1-2H3
InChIKeyAKWXIKRZEAESCM-UHFFFAOYSA-N
XLogP2.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(2-bromo-4-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041093
2-[5-[amino-(3-bromo-2-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107953684
2-[5-[amino-(4-chloro-3-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041034
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041131
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
2-[5-[amino-(2-fluoro-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040981
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
2-[5-[amino-(3-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114646504
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(4-bromo-1-propylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105041234

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (CID 114646291) is 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Br)c1C(N)c1cccc(F)c1.
What is the InChIKey of 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is AKWXIKRZEAESCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN4/c1-19(2)6-7-20-14(12(15)9-18-20)13(17)10-4-3-5-11(16)8-10/h3-5,8-9,13H,6-7,17H2,1-2H3.
What are the key properties of 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 341.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114646291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).