(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine

C13H14Br2FN3 — CID 114894580

IUPAC(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C13H14Br2FN3/c1-2-5-19-13(10(15)7-18-19)12(17)9-6-8(14)3-4-11(9)16/h3-4,6-7,12H,2,5,17H2,1H3
InChIKeyBDGNWMCXPPOLST-UHFFFAOYSA-N
MW391.08 g/mol
LogP4.01
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine

(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine (PubChem CID 114894580) has the molecular formula C13H14Br2FN3 and a molecular weight of 391.08 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
PubChem CID114894580
Molecular FormulaC13H14Br2FN3
Molecular Weight391.08 g/mol
Exact Mass388.95
IUPAC Name(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C13H14Br2FN3/c1-2-5-19-13(10(15)7-18-19)12(17)9-6-8(14)3-4-11(9)16/h3-4,6-7,12H,2,5,17H2,1H3
InChIKeyBDGNWMCXPPOLST-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
2-[5-[amino-(2-fluoro-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040981
(5-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 114894463
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114886433
1-(5-bromo-2-methylphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041545
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667939
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine (CID 114894580) is (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(Br)c1C(N)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
The InChIKey is BDGNWMCXPPOLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2FN3/c1-2-5-19-13(10(15)7-18-19)12(17)9-6-8(14)3-4-11(9)16/h3-4,6-7,12H,2,5,17H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine has a molecular weight of 391.08 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114894580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).