(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine

C16H13BrFN3 — CID 43322483

IUPAC(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3/c17-12-6-7-14(15(18)8-12)16(19)11-9-20-21(10-11)13-4-2-1-3-5-13/h1-10,16H,19H2
InChIKeyQWNXBFXAOCHSRQ-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.82
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine

(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43322483) has the molecular formula C16H13BrFN3 and a molecular weight of 346.20 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43322483
Molecular FormulaC16H13BrFN3
Molecular Weight346.20 g/mol
Exact Mass345.03
IUPAC Name(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFN3/c17-12-6-7-14(15(18)8-12)16(19)11-9-20-21(10-11)13-4-2-1-3-5-13/h1-10,16H,19H2
InChIKeyQWNXBFXAOCHSRQ-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
CID 63441722
(2-methylsulfanylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 79212353
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147
4-[bromo-(4-bromophenyl)methyl]-1-phenylpyrazole
CID 63441319
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43248561
4-[bromo-(2-methylsulfanylphenyl)methyl]-1-phenylpyrazole
CID 79211846
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine (CID 43322483) is (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine is NC(c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is QWNXBFXAOCHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3/c17-12-6-7-14(15(18)8-12)16(19)11-9-20-21(10-11)13-4-2-1-3-5-13/h1-10,16H,19H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 346.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43322483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).