(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine

C13H13Br2F2N3 — CID 105041548

IUPAC(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H13Br2F2N3/c1-2-3-20-13(8(15)6-19-20)12(18)11-9(16)4-7(14)5-10(11)17/h4-6,12H,2-3,18H2,1H3
InChIKeyZMNHDSYOVIYUQC-UHFFFAOYSA-N
MW409.07 g/mol
LogP4.14
Rot. Bonds4

About (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine

(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine (PubChem CID 105041548) has the molecular formula C13H13Br2F2N3 and a molecular weight of 409.07 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
PubChem CID105041548
Molecular FormulaC13H13Br2F2N3
Molecular Weight409.07 g/mol
Exact Mass406.94
IUPAC Name(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(Br)c1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H13Br2F2N3/c1-2-3-20-13(8(15)6-19-20)12(18)11-9(16)4-7(14)5-10(11)17/h4-6,12H,2-3,18H2,1H3
InChIKeyZMNHDSYOVIYUQC-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 114894580
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105041368
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
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
1-(4-bromo-2,6-difluorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042724
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
(4-bromo-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105183580

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine (CID 105041548) is (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(Br)c1C(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
The InChIKey is ZMNHDSYOVIYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2F2N3/c1-2-3-20-13(8(15)6-19-20)12(18)11-9(16)4-7(14)5-10(11)17/h4-6,12H,2-3,18H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine?
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine has a molecular weight of 409.07 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105041548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).