(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine

C12H12BrClFN3 — CID 114025411

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H12BrClFN3/c1-2-18-12(8(13)6-17-18)11(16)7-3-4-9(14)10(15)5-7/h3-6,11H,2,16H2,1H3
InChIKeyBMQNHVPGIFRUJF-UHFFFAOYSA-N
MW332.60 g/mol
LogP3.51
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine (PubChem CID 114025411) has the molecular formula C12H12BrClFN3 and a molecular weight of 332.60 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
PubChem CID114025411
Molecular FormulaC12H12BrClFN3
Molecular Weight332.60 g/mol
Exact Mass330.99
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H12BrClFN3/c1-2-18-12(8(13)6-17-18)11(16)7-3-4-9(14)10(15)5-7/h3-6,11H,2,16H2,1H3
InChIKeyBMQNHVPGIFRUJF-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-fluorophenyl)methanamine
CID 107995349
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658333
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
2-[5-[amino-(4-chloro-3-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041034
(4-bromo-1-ethylpyrazol-5-yl)-pyridazin-4-ylmethanamine
CID 105182914

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine (CID 114025411) is (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine is CCn1ncc(Br)c1C(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine?
The InChIKey is BMQNHVPGIFRUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFN3/c1-2-18-12(8(13)6-17-18)11(16)7-3-4-9(14)10(15)5-7/h3-6,11H,2,16H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine has a molecular weight of 332.60 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine is sourced from PubChem (CID 114025411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).