[5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine

C15H17BrFN3 — CID 91456076

IUPAC[5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine
SMILESCCn1ncc(C(N)C2CC2)c1-c1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFN3/c1-2-20-15(11-7-10(17)5-6-13(11)16)12(8-19-20)14(18)9-3-4-9/h5-9,14H,2-4,18H2,1H3
InChIKeyOGMOJFOVLDGAIR-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.88
Rot. Bonds4

About [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine

[5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine (PubChem CID 91456076) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine
PubChem CID91456076
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name[5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine
SMILESCCn1ncc(C(N)C2CC2)c1-c1cc(F)ccc1Br
InChIInChI=1S/C15H17BrFN3/c1-2-20-15(11-7-10(17)5-6-13(11)16)12(8-19-20)14(18)9-3-4-9/h5-9,14H,2-4,18H2,1H3
InChIKeyOGMOJFOVLDGAIR-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
(R)-cyclopropyl-(2-ethyl-5-fluorophenyl)methanamine
CID 131122532
N-[[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide
CID 58140223
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-amine
CID 91146016
(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114213050
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
N-[[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-2-methoxy-4-(trifluoromethyl)benzenesulfonamide
CID 66935969
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine (CID 91456076) is [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine is CCn1ncc(C(N)C2CC2)c1-c1cc(F)ccc1Br.
What is the InChIKey of [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine?
The InChIKey is OGMOJFOVLDGAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-2-20-15(11-7-10(17)5-6-13(11)16)12(8-19-20)14(18)9-3-4-9/h5-9,14H,2-4,18H2,1H3.
What are the key properties of [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine?
[5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine has a molecular weight of 338.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-5-fluorophenyl)-1-ethylpyrazol-4-yl]-cyclopropylmethanamine is sourced from PubChem (CID 91456076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).