(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine

C12H14BrN3 — CID 63977430

IUPAC(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-2-16-11(6-7-15-16)12(14)9-4-3-5-10(13)8-9/h3-8,12H,2,14H2,1H3
InChIKeyMUGDQYGAVYDKKI-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.71
Rot. Bonds3

About (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine

(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 63977430) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
PubChem CID63977430
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-2-16-11(6-7-15-16)12(14)9-4-3-5-10(13)8-9/h3-8,12H,2,14H2,1H3
InChIKeyMUGDQYGAVYDKKI-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine 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

(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66159604
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanamine
CID 114646651
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105238409
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine (CID 63977430) is (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1C(N)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is MUGDQYGAVYDKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-16-11(6-7-15-16)12(14)9-4-3-5-10(13)8-9/h3-8,12H,2,14H2,1H3.
What are the key properties of (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine?
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 280.17 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63977430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).