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

C12H12BrF2N3 — CID 115816422

IUPAC(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2c(F)cc(Br)cc2F)cn1
InChIInChI=1S/C12H12BrF2N3/c1-2-18-6-7(5-17-18)12(16)11-9(14)3-8(13)4-10(11)15/h3-6,12H,2,16H2,1H3
InChIKeyFPMUUQCVLCTBLJ-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.99
Rot. Bonds3

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

(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 115816422) has the molecular formula C12H12BrF2N3 and a molecular weight of 316.15 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID115816422
Molecular FormulaC12H12BrF2N3
Molecular Weight316.15 g/mol
Exact Mass315.02
IUPAC Name(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCn1cc(C(N)c2c(F)cc(Br)cc2F)cn1
InChIInChI=1S/C12H12BrF2N3/c1-2-18-6-7(5-17-18)12(16)11-9(14)3-8(13)4-10(11)15/h3-6,12H,2,16H2,1H3
InChIKeyFPMUUQCVLCTBLJ-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780560
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(6-bromonaphthalen-2-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816373
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614611
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
(1-ethylpyrazol-4-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106754993

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine (CID 115816422) is (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine is CCn1cc(C(N)c2c(F)cc(Br)cc2F)cn1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is FPMUUQCVLCTBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N3/c1-2-18-6-7(5-17-18)12(16)11-9(14)3-8(13)4-10(11)15/h3-6,12H,2,16H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine?
(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 316.15 g/mol, XLogP of 2.99, 3 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)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115816422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).